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Number of items at this level: 7371.

2025

Abbas, Haneen Fadhil, Saleh, Basil A., Al-Doghachi, Faris A. J., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2025. Crystal structure of bis ((1-((E)-((4-methoxyphenyl)imino)methyl)naphthalen-2-yl)oxy) copper(II), C36H28CuN2O4. Zeitschrift für Kristallographie - New Crystal Structures 10.1515/ncrs-2024-0449
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Abdullah, N., Nurazzi, N.M., Silverwood, I.P., Matam, S.K., Demon, S.Z.N., Sa'aya, N.S.N., Halim, N.A. and Baharin, K.W. 2025. Structural and morphological studies of non-covalent functionalization carbon nanotubes wrapped poly(3-hexylthiophene-2,5-diyl) nanocomposites. Next Nanotechnology 7 , 100111. 10.1016/j.nxnano.2024.100111
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Aboshouk, Dalia R., Youssef, M. Adel, Panda, Siva S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Bekheit, Mohamed S., Hamed, Ahmed R., Fayad, Walid, Soliman, Ahmed A. F. and Girgis, Adel S. 2025. Design and synthesis of antiproliferative 2-oxoindolin-3-ylidenes incorporating urea function with potential VEGFR-2 inhibitory properties. Scientific Reports 15 (1) , 618. 10.1038/s41598-024-82005-6
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Abylgazina, Leila, Senkovska, Irena, Maliuta, Mariia, Bachetzky, Christopher, Rauche, Marcus, Pöschel, Kathrin, Schmidt, Johannes, Isaacs, Mark, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Otyepka, Michal, Otyepkova, Eva, Mendt, Matthias, More, Yogeshwar D, Buschbeck, Robin, Schneemann, Andreas, Synytska, Alla, Pöppl, Andreas, Eng, Lukas M, Tan, Jin-Chong, Brunner, Eike and Kaskel, Stefan 2025. The role of surface deformation on responsivity of the pillared layer metal-organic framework DUT-8(Ni). Chemical Science 10.1039/d4sc08223k
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Aggett, Kieran, García, Tomás, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Peláez-Fernández, Mario, Mayoral, Álvaro, Arenal, Raul, Solsona, Benjamín, Amorós, Pedro and Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874 2025. The simultaneous total oxidation of toluene, propene and CO environmental pollutants using bimetallic AU‐PT/ZrO2/UVM‐7 catalysts. ChemCatChem 10.1002/cctc.202401462
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Ahmed, Y., Ward, B. D. ORCID: https://orcid.org/0000-0003-1406-5940, Steer, J. ORCID: https://orcid.org/0000-0002-3003-4768 and Zabek, D. ORCID: https://orcid.org/0000-0001-5856-5301 2025. In situ polymerization of barium hexaferrite ferrofluids for poly(ethylene) succinate magnetic nanoparticle composites. Journal of Applied Polymer Science , e56984. 10.1002/app.56984
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Al Zoubi, Wail, Alnaasan, Manar, Assfour, Bassem, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Hussain, Iftikhar, Kim, Sungho and Ko, Young Gun 2025. Totally defined nanocatalysis: Detection of polyelement nanoparticles by deep learning. InfoMat , e70009. 10.1002/inf2.70009
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Al Zoubi, Wail, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Assfour, Bassem, Allaf, Abdul Wahab, Kang, Jee‐Hyun and Ko, Young Gun 2025. Continuous synthesis of metal oxide‐supported high‐entropy alloy nanoparticles with remarkable durability and catalytic activity in the hydrogen reduction reaction. InfoMat 7 (2) , e12617. 10.1002/inf2.12617
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Aldred, Matthew P., Davies, Thomas E., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Graham, Andrew E. 2025. Studies on the reactions of lactone intermediates derived from levulinic acid: telescoped routes to higher levulinate ester biofuels. ACS Omega 10.1021/acsomega.4c08315
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Alghamdi, Taha 2025. New catalysts for advanced biofuels synthesis and cooperative catalysis. PhD Thesis, Cardiff University.
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Alkhaibari, Ibrahim, Horton, Peter, Coles, Simon, Buurma, Niklaas and Pope, Simon J. ORCID: https://orcid.org/0000-0001-9110-9711 2025. DNA‐binding properties of non‐intercalating water‐soluble organometallic Ir(III) luminophores. Chemistry - A European Journal , e202500290. 10.1002/chem.202500290

Allison, Thomas, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Durance, Isabelle ORCID: https://orcid.org/0000-0002-4138-3349 and Harbottle, Michael ORCID: https://orcid.org/0000-0002-6443-5340 2025. Predicting flushed wet wipe emissions into rivers. Water Research 268 (Part B) , 122733. 10.1016/j.watres.2024.122733
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Alotaibi, Nusaybah, Babaahmadi, Rasool, Das, Sampurna, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Pramanik, Milan and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 2025. B(C6F5)3 Catalyzed regiodivergent thioetherifications of alkenes via thiiranium intermediates: experimental and computational insights. Chemistry - A European Journal 31 (10) , e202404236. 10.1002/chem.202404236
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Baldwin, Alex ORCID: https://orcid.org/0000-0002-7126-5220, Foley, David, Collins, Ross, Lee, Hyunah, Jones, D. Heulyn, Wahab, Ben, Waters, Loren, Pedder, Josephine, Paine, Marie, Feng, Gui, Privitera, Lucia, Ashall-Kelly, Alexander, Thomas, Carys, Gillespie, Jason, Schino, Lauramariu, Belelli, Delia, Rocha, Cecilia, Maussion, Gilles, Krahn, Andrea, Durcan, Thomas, Elkins, Jonathan, Lambert, Jeremy, Atack, John ORCID: https://orcid.org/0000-0002-3410-791X and Ward, Simon ORCID: https://orcid.org/0000-0002-8745-8377 2025. Discovery of MDI-114215: A potent and selective LIMK inhibitor to treat Fragile X Syndrome. Journal of Medicinal Chemistry 68 (1) , pp. 719-752. 10.1021/acs.jmedchem.4c02694
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Basu, Shalmali, Rana, Nabakumar, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 and Sen, Kamalika 2025. Gold nanoparticle incorporated graphene oxide as a SERS platform for ultratrace antibody free sensing of the cancer biomarker CEA. Langmuir 41 (11) , 7886–7901. 10.1021/acs.langmuir.5c00522
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Bhattacherjee, Dhananjay, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Piscelli, Bruno A., Cormanich, Rodrigo A. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2025. Synthesis and reactivity of six‐membered cyclic diaryl λ3‐bromanes and λ3‐chloranes. Angewandte Chemie , e202424559. 10.1002/ange.202424559
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Blackstock, Chelsea, Walters-Freke, Caitlin, Richards, Nigel ORCID: https://orcid.org/0000-0002-0375-0881 and Williamson, Adele 2025. Nucleic acid joining enzymes: biological functions and synthetic applications beyond DNA. Biochemical Journal 482 (2) , pp. 39-56. 10.1042/BCJ20240136
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Boucher, Alexandre, Beevers, Cameron, Gauthier, Bertrand ORCID: https://orcid.org/0000-0001-5469-814X and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2025. Machine learning force field for optimization of isolated and supported transition metal particles. Journal of Chemical Theory and Computation 10.1021/acs.jctc.4c01606
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2025. Alloying effects on the reactivity of Pd are ensemble dominated. Surface Science 751 , 122620. 10.1016/j.susc.2024.122620
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Camacho, Sandra Yurani Toledo, Cabello, Francisco Mediana, Iglesias, Sandra Contreras, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Chachvalvutikul, Auttaphon 2025. Layered double hydroxides for H2 generation by the photoreforming of organic compounds. Catalysis Today 448 , 115168. 10.1016/j.cattod.2024.115168
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Carpenter, Barry K. ORCID: https://orcid.org/0000-0002-5470-0278 2025. An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions. Chemical Science 10.1039/d4sc08748h
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2025. Editorial: new Editor-in-Chief and the 360th anniversary of Philosophical Transactions. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 383 (2288) , 20240557. 10.1098/rsta.2024.0557
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Chen, Yifan, Young, Benjamin J., Aliev, Gazi N., Kordatos, Apostolos, Popov, Ilya, Ghaderzadeh, Sadegh, Liddy, Thomas J., Cull, William J., Kohlrausch, Emerson C., Weilhard, Andreas, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Besley, Elena, Theis, Wolfgang, Alves Fernandes, Jesum and Khlobystov, Andrei N. 2025. Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia. Chemical Science 16 , pp. 2648-2660. 10.1039/D4SC06382A
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Cheung, S. J., Masud, N., Robison-Smith, C., Hansal, P., Davies-Jones, J., Ward, B. D. ORCID: https://orcid.org/0000-0003-1406-5940 and Cable, J. ORCID: https://orcid.org/0000-0002-8510-7055 2025. Assessing the chemical interactions and biological effects of a petrochemical and bio-based plastic with a common plastic flame retardant and solvent. Science of the Total Environment 958 , 177958.
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Craco, L., Carara, S.S., de Arruda, A.S., de Arruda, P.H.Z. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2025. Tunable analog and nearly digital responses in hole-doped LiNbO2 memristors. Solid State Communications 401 , 115911. 10.1016/j.ssc.2025.115911
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Cui, Chunyu, Xu, Liang, Yu, Peiping, Wang, Nan, Ni, Fenglou, Guo, Wen, Yang, Hao, Cheng, Tao and Zhang, Bo 2025. Cation enrichment promotes high-rate CO electroreduction to C2+ liquid products. Chemistry-Sustainability-Energy-Materials 18 (2) , e202400940. 10.1002/cssc.202400940
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Douglas, Gordon J., Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Sproules, Stephen 2025. A self-assembled metallo-macrocycle two-qubit spin system. Chemical Communications 61 (4) , pp. 685-688. 10.1039/d4cc03859b
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Ekim, Utku, Ilter, Emre, Çelik, Harun Samet, Genc, Aziz, Slater, Thomas J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Çelikbilek Ersundu, Miray and Ersundu, Ali Erçin 2025. Sm2O3-doped CsPbBr1I2 perovskite quantum dot glass nanocomposites for enhanced plant growth lighting. Materials Today Chemistry 45 , 102624. 10.1016/j.mtchem.2025.102624
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El Moutaouakil Ala Allah, Abderrazzak, Kariuki, Benson M ORCID: https://orcid.org/0000-0002-8658-3897, Guerrab, Walid, Alsubari, Abdulsalam, Said, Musa A, Mague, Joel T and Ramli, Youssef 2025. Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-di­phenyl-2-[2-(propan-2-yl­­idene)hydrazin-1-yl]-4,5-di­hydro-1H-imidazol-4-one N,N-di­methyl­formamide hemisolvate. Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 2) , pp. 109-113. 10.1107/s2056989025000076
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Elliott, Mark C. ORCID: https://orcid.org/0000-0003-0132-0818, Hughes, Colan E., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 2025. Alkyl groups in organic molecules are NOT inductively electron-releasing. Organic and Biomolecular Chemistry 23 (2) , pp. 352-359. 10.1039/D4OB01572J
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Elsherbeni, Salma A., Maqbool, Tahir, Bari, Md Abdul, AlQahtani, Eman M. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2025. Shining a light on Fe-catalyzed borrowing hydrogen alkylation. Trends in Chemistry 10.1016/j.trechm.2025.02.001
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Ferreira, Lucas Coral, de Souza Galaverna, Renan, McBride, Tom, Costa e Silva, Rodrigo, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Pastre, Julio Cezar 2025. Fast and scalable continuous flow synthesis of butenolides and coumarins. Reaction Chemistry and Engineering 10.1039/d4re00567h
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Filipini Ferreira, Gabriela, Pinto, Luisa F. Ríos, Maciel Filho, Rubens, Fregolente, Leonardo V., Hayward, James and Bartley, Jonathan ORCID: https://orcid.org/0000-0003-4640-541X 2025. Ethanol-based transesterification of rapeseed oil with CaO Catalyst: process optimization and validation using microalgal lipids. Catalysis Letters 155 , 84. 10.1007/s10562-024-04921-6
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Han, Xu, Zhang, Ting, Biset‐Peiró, Martí, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Ceccato, Marcel, Lock, Nina, Pedersen, Steen Uttrup, Morante, Joan Ramon, Arbiol, Jordi and Daasbjerg, Kim 2025. Mesopore-augmented electrochemical CO2 reduction on nitrogen-doped carbon. Small 21 (10) , 2406883. 10.1002/smll.202406883
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Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598 and Hughes, Colan E. 2025. NMR crystallization: The application of NMR strategies to monitor the evolution of crystallization processes. Bryce, David L., ed. Modern NMR Crystallography: Concepts and Applications, Vol. 36. New Developments in NMR, Royal Society of Chemistry, pp. 342-371. (10.1039/9781837673179-00342)

Hawkins, Bryson Andrew, Adair, Liam, Ryder, William, Du, Jonathan, Najib, Elias, New, Elizabeth, Gale, Philip, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595, Groundwater, Paul and Hibbs, David 2025. Influence of halogen substituents on the photophysical properties of 7‐hydroxycoumarin: Insights from experimental and theoretical studies. ChemPhysChem 26 (5) , e202400812. 10.1002/cphc.202400812
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Huang, Sheng-Eng, Tan, Howard ORCID: https://orcid.org/0000-0002-4119-0686, Sahu, Rama Shanker, Geleta, Tesfaye Abebe, Miri, Ashkan, Lin, Chen-yu, Shih, Yang-hsin and Chen, Wen-Ling 2025. Facile synthesis and optimization of graphitic carbon nitride nanoparticles to effectively photodegrade tetracycline under visible light in water. ACS agricultural science & technology 5 (2) , pp. 235-245. 10.1021/acsagscitech.4c00637
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Huang, Yang, Wu, Chengyang, Lu, Anjing, Wang, Jingzhe, Liang, Jian, Sun, Han, Yang, Liqing, Duan, Shixiang, Berezin, Andrey A., Wu, Chuanliu, Zhang, Bo, Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 and Tsai, Yu-Hsuan 2025. A single bioorthogonal reaction for multiplex cell surface protein labeling. Journal of the American Chemical Society 147 (2) , 1612–1623. 10.1021/jacs.4c11701
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Hughes, Colan E., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Almetahr, Abrar, Saint-Mart, Jessica, Williams, Andrew, Samperisi, Laura and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2025. Solid-state structure of xanthine determined by a combination of 3D electron diffraction, powder x-ray diffraction, and DFT-D calculations. Crystal Growth and Design 25 (4) , pp. 895-902. 10.1021/acs.cgd.4c01717
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Hughes, Colan E., Ratnasingam, Naomi V., Williams, Andrew, Benhenou, Erwan, Patterson, Rhian and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2025. NMR crystallization: In-situ NMR strategies for monitoring the evolution of crystallization processes. Faraday Discussions 255 , pp. 520-552. 10.1039/D4FD00079J
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Hughes, Rory, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Brennan, Colin and Lennon, David 2025. Toward a generic model for phosgene synthesis catalysis over activated carbon. ChemCatChem 17 (5) , e202401118. 10.1002/cctc.202401118
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Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560, Williams, Jake, Kitching, Ella, Patel, Rhea-Shree, Mauss, Jonathan, Kley, Klara, Khobragade, Rohini, de Bellis, Jacopo, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Schueth, Ferdi, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874, Dummer, Nicholas ORCID: https://orcid.org/0000-0002-0946-6304 and Bender, Michael 2025. The influence of reaction conditions on selective acetylene hydrogenation over sol immobilisation prepared AgPd/Al2O3 catalysts. ChemCatChem 10.1002/cctc.202401794
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Ibarra-Barreno, Carolina M., Chowdhury, Sanchari, Crosta, Martina, Zehra, Tashfeen, Fasano, Francesco, Kundu, Paromita, Verstraelen, Jenthe, Bals, Sara, Subrati, Mohammed, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Costa, Rubén D. and Rudolf, Petra 2025. Bottom-up fabrication of BN-doped graphene electrodes from thiol-terminated borazine molecules working in solar cells. ACS Applied Materials & Interfaces 10.1021/acsami.4c23116
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Ibbott, Alexandra R., Miquel Fosco, Paula, Alenazy, Deemah M. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2025. Luminescent Ru(II) complexes based on functionalised 1,10-phenanthroline derivatised ligands towards bioconjugated probes. Inorganica Chimica Acta 579 , 122561. 10.1016/j.ica.2025.122561
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Ibraheem, Hanan, El-Hiti, Gamal, Yousif, Emad, Ahmed, Dina, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Ismael, Shams and Bufaroosha, Muna 2025. Enhancing photostability of chemically modified poly(vinyl chloride) through the incorporation of organotin moieties on the polymeric chains. Trends in Sciences 22 (4) , 9413. 10.48048/tis.2025.9413
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Isaacs, M. A., Graf, A. and Morgan, D. J. ORCID: https://orcid.org/0000-0002-6571-5731 2025. XPS insight note: Multiplet splitting in X‐Ray photoelectron spectra. Surface and Interface Analysis 10.1002/sia.7383
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Johnson, Luke Alan ORCID: https://orcid.org/0000-0002-6697-6589 and Allemann, Rudolf Konrad ORCID: https://orcid.org/0000-0002-1323-8830 2025. Engineering terpene synthases and their substrates for the biocatalytic production of terpene natural products and analogues. Chemical Communications 61 (12) , pp. 2468-2483. 10.1039/D4CC05785F
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Jurado A., David A., Higham, Michael D., Poh, Yong Rui, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Krossing, Ingo 2025. Mechanism of CO2 conversion to methanol on a highly representative model Cu/ZnO interface. Journal of Catalysis 446 , 115997. 10.1016/j.jcat.2025.115997
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Kang, Xinchen, Li, Lili, Wang, Hengan, Luo, Tian, Xu, Shaojun, Chen, Yinlin, Carter, Joseph H., Wang, Zi, Sheveleva, Alena M., Lyu, Kai, Han, Xue, Tuna, Floriana, McInnes, Eric J. L., Tang, Chiu C., Liu, Lifei, Han, Buxing, Gibson, Emma K., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Yang, Sihai and Schröder, Martin 2025. Hierarchical porous metal–organic polyhedra for efficient oxidative cleavage of β-o-4 bonds in lignin model compound. CCS Chemistry 10.31635/ccschem.024.202404991
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Kelly, Nicole L., Borthwick, Emma A. L., Lawrence, Gaynor B., Wheatley, Paul S., Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Morris, Russell E. and Ashbrook, Sharon E. 2025. Exploiting in situ NMR spectroscopy to understand non-traditional methods for zeolite synthesis. Chemical Science 16 (10) , pp. 4245-4255. 10.1039/d4sc07931k
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Le Bahers, Tangui, Lastusaari, Mika, Weller, Mark, Friis, Henrik and van Goethem, Ludo 2025. Photochromic sodalites: From natural minerals to advanced applied materials. Accounts of Chemical Research 58 (3) , pp. 330-341. 10.1021/acs.accounts.4c00624

Lemishko, Kateryna, Armstrong, Gregory S. J., Mohr, Sebastian, Nelson, Anna, Tennyson, Jonathan and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 2025. Machine learning-based estimator for electron impact ionization fragmentation patterns. Journal of Physics D: Applied Physics 58 (10) , 105208. 10.1088/1361-6463/ada37e
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Li, Da, Liu, Jiabei, Chen, Xinyi, Feng, Zhiming, Wang, Shaohong, Wang, Yucheng, Lin, Nan, Wu, Jing and Feng, Yujie 2025. Regulation of coordinated nitrogen species for atomically dispersed Fe-N5 catalyst to boost electrocatalytic CO2-to-CO conversion. Applied Catalysis B: Environment and Energy 365 , 124824. 10.1016/j.apcatb.2024.124824
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Li, Peirou, Newsome, Laura, Graf, Arthur, Hudson-Edwards, Karen A., Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 and Crane, Richard 2025. Removal of vanadium(V) ions from acidic water using reusable manganese oxide sorbents. Journal of Hazardous Materials 490 , 137765. 10.1016/j.jhazmat.2025.137765
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Li, Rong-Jian, Lewis, Richard J., Lopez-Martín, Ángeles, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Kordus, David, Dugulan, A. Iulian, Roldan Cuenya, Beatriz and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2025. Promoting H2O2 direct synthesis through Fe incorporation into AuPd catalysts. Green Chemistry 27 (7) , pp. 2065-2077. 10.1039/D5GC00134J
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Li, Wenjing, Chen, Dingming, Lou, Zhenxin, Yuan, Haiyang, Fu, Xiaopeng, Lin, Hao Yang, Lin, Miaoyu, Hou, Yu, Qi, Haifeng, Liu, Peng Fei, Yang, Hua Gui and Wang, Haifeng 2025. Inhibiting overoxidation of dynamically evolved RuO2 to achieve a win–win in activity–stability for acidic water electrolysis. Journal of the American Chemical Society 147 (12) , pp. 10446-10458. 10.1021/jacs.4c18300
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Liu, Taifeng, Zhang, Xingfan, Guan, Jingcheng, Chen, Xuebo, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Sokol, Alexey A. 2025. Origins of intrinsic p-type conductivity, p–n transition and substoichiometry in SrO. Journal of Materials Chemistry A: materials for energy and sustainability 13 (10) , pp. 7176-7186. 10.1039/d4ta07690g
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Lou, Yaoyin, Huang, Xiaoyang Jerry, Zhao, Kuang-Min, Douthwaite, Mark J., Fan, Tingting, Lu, Fa, Akdim, Ouardia, Tian, Na, Sun, Shigang and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2025. Stable core-shell Janus BiAg bimetallic catalyst for CO2 electrolysis into formate. Chinese Chemical Letters 36 (3) , 110300. 10.1016/j.cclet.2024.110300
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Lu, Shuai, Wang, Shaobo, Zhang, Jinglai, Xian, Guang, Qian, Yichi and Du, Hongbiao 2025. Investigation of biocrude production from spirulina via catalytic hydrothermal liquefaction with the Ru/ZrO2−SiO2 catalyst. ACS Omega 10 (2) , 1966–1975. 10.1021/acsomega.4c07632
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Mai, Yuanqiang, Zhang, Dongsheng, Maliutina, Kristina, Leng, Xueyang, Cai, Nengjun, Li, Jialu, Wang, Chao, Huang, Yu, Zhang, Kai, Zhang, Wujun, Li, Yongwang, Besenbacher, Flemming, Niemantsverdriet, Hans, Liang, Wenting, Shen, Yanbin, Lim, Tingbin, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Su, Ren 2025. Photocatalytic partial water oxidation promoted by a hydrogen acceptor-hydroxyl mediator couple. Advanced Science 12 (6) , 2410680. 10.1002/advs.202410680
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Maimoune, Imane, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, El Moutaouakil Ala Allah, Abderrazzak, Nchioua, Intissar, Alsubari, Abdulsalam, Mague, Joel T., Zarrouk, Abdelkader and Ramli, Youssef 2025. Crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-nitro-phen-yl)-2-(piperidin-1-yl)acetamide (lidocaine analogue). Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 1) , pp. 69-73. 10.1107/s205698902401185x
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Marcotti, Stefania, Jones, Martin L., Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551 and Barry, David J. 2025. Enhancing research through image analysis workshops: Experiences and best practices. Microscopy Research & Technique 88 (4) , pp. 922-935. 10.1002/jemt.24769
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Martinez-Topete, Andrea, Jimenez-Relinque, Eva, Dappozze, Frederic, Salli, Sofia, Genç, Aziz, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Guillard, Chantal, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Castellote, Marta 2025. Bismuth oxyiodides: photocatalytic performance, by-products, and degradation pathways. Journal of Materials Science: Materials in Engineering 20 , 39. 10.1186/s40712-025-00251-6
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Matam, Santhosh K., Boudjema, Lotfi, Quesne, Matthew G., Taylor, James D. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2025. A complementary experimental and computational study on methanol adsorption isotherms of H-ZSM-5. Physical Chemistry Chemical Physics 27 (5) , pp. 2601-2614. 10.1039/d4cp03761h
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Matam, Santhosh K., Sharma, P. K., Yu, E. H., Drivas, C., Khan, M. D., Wilding, M., Ramanan, N., Gianolio, D., Isaacs, M. A., Guan, S., Davies, P. R. ORCID: https://orcid.org/0000-0003-4394-766X and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2025. Operando X-ray absorption spectroscopic flow cell for electrochemical CO2 reduction: new insight into the role of copper species. Catalysis Science & Technology 15 (4) , pp. 1070-1081. 10.1039/D4CY00602J
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Mishra, Pawan ORCID: https://orcid.org/0000-0003-1141-3487, Hind, Jasmine, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 and Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611 2025. Radiochemical synthesis of alkyl geminal 18F-difluoroalkyl motifs mediated by silver(I) oxide. Organic Letters 27 (7) , pp. 1724-1728. 10.1021/acs.orglett.5c00187
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Mohamed-Ezzat, Reham A., Hasanin, Mohamed S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Dacrory, Sawsan 2025. Synthesis and crystal structure of piperidinyl propanenitrile towards the preparation of piperidine based bioactive films for drug delivery applications. Scientific Reports 15 (1) , 705. 10.1038/s41598-024-81996-6
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Mohamed-Ezzat, Reham A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Al-Ashmawy, Aisha A. K. and Srour, Aladdin M. 2025. Synthesis and crystal structure of 5-{(E)-[(1H-indol-3-ylformamido)­imino]­meth­yl}-2-meth­­oxy­phenyl propane-1-sulfonate. Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 4) , pp. 310-313. 10.1107/s2056989025002087
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2025. The utility of adventitious carbon for charge correction: a perspective from a second multiuser facility. Surface and Interface Analysis 57 (1) , pp. 28-35. 10.1002/sia.7360
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Nieva de la Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Liborio, Leandro, Austin, Patrick, Devadasan, Subindev, Underwood, Tom, Belozerov, Alexander, Wilding, Martin, Ramanan, Nitya and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2025. Facilitating reproducibility in catalysis research with managed workflows and RO-Crates: a Galaxy case study. ChemCatChem , e202401676. 10.1002/cctc.202401676
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Niu, Shanshan, Yang, Ji, Qi, Haifeng, Qian, Lei-Lei, Du, Pan, Si, Nan, Gu, Xiaomin, Jiang, Dawei and Feng, Yan 2025. Nickel single atoms anchored on pyridinic N dominated porous carbon for enhanced electrochemical 4‐electron oxygen reduction. ChemCatChem 10.1002/cctc.202401934
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Peng, Mi, Ge, Yuzhen, Gao, Rui, Yang, Jie, Li, Aowen, Xie, Zhiheng, Yu, Qiaolin, Zhang, Jie, Asakura, Hiroyuki, Zhang, Hui, Liu, Zhi, Zhang, Qi, Deng, Jin, Zhou, Jihan, Zhou, Wu, Hutchings, Graham J ORCID: https://orcid.org/0000-0001-8885-1560 and Ma, Ding 2025. Thermal catalytic reforming for hydrogen production with zero CO2 emission. Science 387 (6735) , pp. 769-775. 10.1126/science.adt0682
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Pinder, Joshua W., Kulbacki, Braxton, Baer, Donald R., Biesinger, Mark, Castle, James, Castner, David G., Easton, Christopher D., Grant, John T., Greczynski, Grzegorz, Harmer, Sarah L., Hughes, Anthony E., Isaacs, Mark, Kövér, László, Major, George H., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Powell, Cedric J., Sherwood, Peter M. A., Skinner, William M., Stowers, Kara, Terry, Jeff and Linford, Matthew R. 2025. What's in a Name? “ESCA” or “XPS”? A discussion of comments made by Kai Siegbahn more than four decades ago regarding the name of the technique. Surface and Interface Analysis 57 (5) , pp. 368-377. 10.1002/sia.7392
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Pinder, Joshua W., Malatinova, Michaela, Kovařík, Martin, Austin, Daniel E., Šikola, Tomáš, Tougaard, Sven, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Isaacs, Mark, Průša, Stanislav and Linford, Matthew R. 2025. Much ado about nothing? Background anomalies without accompanying primary peaks in X‐ray photoelectron spectroscopy and low energy Ion scattering. Surface and Interface Analysis 57 (4) , pp. 264-274. 10.1002/sia.7378
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Pitchers, Jack R., Carter, James, Genc, Aziz, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Oakley, Alice Elizabeth, Vandegehuchte, Bart, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2025. The selective oxidation of methanol to formaldehyde using novel iron molybdate catalysts prepared by supercritical antisolvent precipitation. Catalysis Science & Technology 10.1039/D5CY00211G
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Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Tolbatov, Iogann 2025. Insight into uranyl binding by cyclic peptides from molecular dynamics and density functional theory. Journal of Inorganic Biochemistry 264 , 112793. 10.1016/j.jinorgbio.2024.112793
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Qi, Haifeng, Jiao, Yueyue, Duan, Jianglin, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Zhang, Bin, Ren, Yujing, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Qin, Yong, Junge, Kathrin, Jiao, Haijun, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Beller, Matthias 2025. Tandem reductive amination and deuteration over a phosphorus-modified iron center. Nature Communications 16 (1) , 1840. 10.1038/s41467-024-55722-9
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Rabiu, Hamza S., Hayward, James S. and Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X 2025. High surface area perovskite materials as functional catalyst supports for glycerol oxidation. Molecular Catalysis 572 , 114750. 10.1016/j.mcat.2024.114750
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Rani, Sadia, Sbei, Najoua, Rahali, Seyfeddine, Aslam, Samina, Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2025. Electrochemical synthesis: A green & powerful approach to modern organic synthesis and future directions. Chinese Chemical Letters , 111216. 10.1016/j.cclet.2025.111216
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Richardson, Scott, Babaahmadi, Rasool, Edwards, Lee E. ORCID: https://orcid.org/0000-0003-2200-9578, Ali, Rojan, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831, Roy, Debdulal and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2025. Raman study of intermediates formed during the electrochemical N-nitrosation of secondary amines. Chemistry ‐ Methods 5 (3) , e202400067. 10.1002/cmtd.202400067
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Rogers, Hannah, Woodman, Timothy J., Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Freakley, Simon 2025. Hydrogen radical detection in mild catalytic reactions: Background C‐H activation in solvents. ChemCatChem 10.1002/cctc.202401969
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Shaddick, Gavin ORCID: https://orcid.org/0000-0002-4117-4264, Topping, David, Hales, Tristram C. ORCID: https://orcid.org/0000-0002-3330-3302, Kadri, Usama ORCID: https://orcid.org/0000-0002-5441-1812, Patterson, Joanne ORCID: https://orcid.org/0000-0002-4440-159X, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Petri, Ioan ORCID: https://orcid.org/0000-0002-1625-8247, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874, Li, Peiyuan, Sharma, Ashish, Venkatkrishnan, Venkat, Wadhwa, Abhinav, Ding, Jennifer, Bowyer, Ruth and Rana, Omer ORCID: https://orcid.org/0000-0003-3597-2646 2025. Data science and AI for sustainable futures: Opportunities and challenges. Sustainability 17 (5) , 2019. 10.3390/su17052019
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Shah, Parag M., Bailey, Liam A., Jiang, Zhongyu, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2025. The effect of washing on improving activity of co-precipitated ceria manganese oxide catalysts for volatile organic compound total oxidation. Molecular Catalysis 573 , 114796. 10.1016/j.mcat.2024.114796
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Sinha, Vivekananda, Vincent, T. and Pera Titus, Marc 2025. Modeling dispersed phase holdup and conditions of flooding in a pulsed disc and doughnut solvent extraction column. Chemical Engineering Journal 505 , 159440. 10.1016/j.cej.2025.159440
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Tabut, Mary, Stishenko, Pavel V. and Calatayud, Monica 2025. Modeling the self-assembly of L-cysteine molecules on the Au(111) surface: A lattice model approach. Surface Science 757 , 122740. 10.1016/j.susc.2025.122740
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Tisnerat, Camille, Di Ciano, Samuele, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101 and Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910 2025. Microwave-accelerated synthesis of novel triphosphate nucleoside prodrugs: Expanding the therapeutic arsenal of anticancer agents. Organic Letters 27 (1) , pp. 322-327. 10.1021/acs.orglett.4c04379
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Ungerer, Marietjie J. ORCID: https://orcid.org/0000-0002-9073-1186 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2025. Thermodynamics of hydrogen adsorption on ruthenium fcc surfaces: a density functional theory study. Physical Chemistry Chemical Physics 27 (11) , pp. 5759-5772. 10.1039/d4cp04165h
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Wakchaure, Vivek Chandrakant, Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Crosta, Martina, Kählig, Hanspeter, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 and Bonifazi, Davide 2025. Expression of hyperconjugative stereoelectronic interactions in borazines. Chemical Communications 61 (6) , pp. 1200-1203. 10.1039/D4CC05188B
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Wan, Jieying, Yang, Ji, Yang, Na, Sun, Yifei, Hu, Chuansheng, Zhao, Yang, Xu, Xiaoyan, Qi, Haifeng, Li, Xiaodong and Zhang, Hao 2025. Axial chlorine-induced symmetry-breaking iron single-atom catalyst for electrochemical ammonia synthesis. ACS Catalysis , pp. 4507-4518. 10.1021/acscatal.4c06501
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Watson, Nathan A. I., Newland, Mike J., Nelson, Beth S., Rickard, Andrew R. and Beames, Joseph M. ORCID: https://orcid.org/0000-0002-5508-8236 2025. Tropospheric alkene ozonolysis chemistry: an extended computational chemistry assessment of structural effects. Environmental Science: Advances 4 (4) , pp. 619-647. 10.1039/d4va00298a
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Weilhard, Andreas, Popov, Ilya, Kohlrausch, Emerson C., Aliev, Gazi N., Blankenship, L. Scott, Norman, Luke T., Ghaderzadegh, Sadegh, Smith, Louise R., Isaacs, Mark Andrew, O'Shea, James, Lanterna, Anabel, Theis, Wolfgang, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Besley, Elena, Khlobystov, Andrei and Alves Fernandes, Jesum 2025. A descriptor guiding the selection of catalyst supports for ammonia synthesis. Chemical Science 10.1039/D4SC08253B
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White, Leah E. M., Gianga, Tiberiu-M., Pradaux-Caggiano, Fabienne, Faverio, Chiara, Taddeucci, Andrea, Rzepa, Henry S., Jonhannesen, Christian, Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Siligardi, Giuliano, Carbery, David R. and Panto?, G. Dan 2025. Enantiopure synthesis of [5]helicene based molecular lemniscates and their use in chiroptical materials. Nature Communications 16 (1) , 2837. 10.1038/s41467-025-58162-1
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Wilding, M. C., Demmel, F. and Wilson, M. 2025. Diffusion in molten sodium carbonate. The Journal of Physical Chemistry A 129 (7) , pp. 1890-1895. 10.1021/acs.jpca.4c04649
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Xiao, Shanshan, Zhao, Mingjun, Li, Mingquan, Wan, Shanhong, Genc, Aziz, Huang, Lulu, Chen, Lei, Zhang, Yu, Ibáñez, Maria, Lim, Khak Ho, Hong, Min, Liu, Yu and Cabot, Andreu 2025. Band and defect engineering in solution-processed nanocrystal building blocks to promote transport properties in nanomaterials: The case of thermoelectric Cu 3SbSe 4. Nano Research 18 (1) , 94907072. 10.26599/NR.2025.94907072
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Xie, Jijia, Fu, Cong, Quesne, Matthew G., Guo, Jian, Wang, Chao, Xiong, Lunqiao, Windle, Christopher D., Gadipelli, Srinivas, Guo, Zheng Xiao, Huang, Weixin, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Tang, Junwang 2025. Methane oxidation to ethanol by a molecular junction photocatalyst. Nature 639 , pp. 368-374. 10.1038/s41586-025-08630-x
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Xu, Hao, Lin, Dong, Shi, Jie, Lv, Zhengxing, Zhao, Xinshuo, Ning, Linge, Xiao, Jiao, Cui, Lin, Zhang, Jian, Yuan, Juncong, Feng, Xiang, Qin, Yong and Zhang, Jiankang 2025. Constructing SiO2-supported atomically dispersed platinum catalysts with single-atom and atomic cluster dual sites to tame hydrogenation performance. JACS Au 5 (1) , pp. 250-260. 10.1021/jacsau.4c00924
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Xu, Zhiqiang, Wang, Yujia, Qian, Yichi, Zhang, Jiafeng, Tu, Yanan, Gu, Suqian and Sun, Meijie 2025. Distribution and leaching characteristics of metal elements in coal gasification fine Slag: Insights into inorganic and organic acid systems. Separation and Purification Technology 361 (Part 2) , 131517. 10.1016/j.seppur.2025.131517

Zhang, Liwei, Lewis, Richard J., Brehm, Joseph, Liu, Wencong, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Wang, Yong and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2025. Chemo-enzymatic phenol polymerisation via in-situ H2O2 synthesis. Catalysis Today 454 , 115292. 10.1016/j.cattod.2025.115292
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Zhang, Yu, Xing, Congcong, Wang, Dongyang, Genc, Aziz, Lee, Seng Huat, Chang, Cheng, Li, Zhi, Zheng, Luyao, Lim, Khak Ho, Zhu, Hangtian, Smriti, Rabeya Bosry, Liu, Yu, Cheng, Shaobo, Hong, Min, Fan, Xiaolei, Mao, Zhiqiang, Zhao, Li-Dong, Cabot, Andreu, Zhu, Tiejun and Poudel, Bed 2025. Realizing high power factor and thermoelectric performance in band engineered AgSbTe2. Nature Communications 16 (1) , 22. 10.1038/s41467-024-55280-0
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Zhang, Yunyu, Butler, Keith T., Higham, Michael D. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2025. REMatch plus SOS: Machine-learning-accelerated structure prediction for supported metal nanoclusters. Physical Review Materials 9 (3) , 033801. 10.1103/physrevmaterials.9.033801
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2024

Abdel-Wahab, Bakr F., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2024. Synthesis, isomorphism, and polymorphism of new (2E,4E)-1-(5-methyl-1-aryl-1H-1,2,3-triazol-4-yl)-5-phenylpenta-2,4-dien-1-ones. Journal of Molecular Structure 1304 , 137748. 10.1016/j.molstruc.2024.137748
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Abdel-Wahab, Bakr F., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Mohamed, Hanan A. and El-Hiti, Gamal A. 2024. Synthesis and characterization of new heterocycles containing the 1,2,3-triazole ring system. Journal of Molecular Structure 1311 , 138404. 10.1016/j.molstruc.2024.138404
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Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2024. 1-(2,4-Dinitrophenyl)-2-((Z)-2-((E)-4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-ylidene)hydrazine. Molbank 2024 (1) , M1789. 10.3390/M1789
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Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2024. (E)-1-(1-(Benzofuran-2-yl)ethylidene)-2-(2,4,6-trichlorophenyl)hydrazine. Molbank 2024 (1) , M1790. 10.3390/M1790
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Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 2024. ( E )-1-(4-Methoxyphenyl)-5-methyl-4-(1-phenyl-4-((2-(2,4,6-trichlorophenyl)hydrazineylidene)methyl)-1 H -pyrazol-3-yl)-1 H -1,2,3-triazole. Molbank 2024 (2) , M1798. 10.3390/m1798
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Abdul Nasir, Jamal, Beale, Andrew M. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2024. Understanding deNO x mechanisms in transition metal exchanged zeolites. Chemical Society Reviews 53 (23) , pp. 11657-11691. 10.1039/d3cs00468f
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Abdul Nasir, Jamal, Guan, Jingcheng, Keal, Thomas W., Lu, You, Sokol, Alexey A. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2024. The Rôle of Iron in Zeolite Beta for deNOx Catalysis. Journal of Catalysis 438 , 115696. 10.1016/j.jcat.2024.115696
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Abraham, Vibin, Atalar, Kemal, Berard, Kenneth O., Booth, George H., Burton, Hugh G. A., Chan, Garnet K.-L., Evangelista, Francesco A., Filip, Maria-Andreea, Giner, Emmanuel, Gunasekera, Alexander, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Lepetit, Marie-Bernadette, Liao, Ke, Loos, Pierre-François, Magnusson, Erika, Mayhall, Nicholas J., Mejuto-Zaera, Carlos, Neese, Frank, Neufeld, Verena A., Ntola, Pinkie, Plasser, Felix, Ravindran, Visagan, Schilling, Christian, Scuseria, Gustavo, Shee, James, Shi, Benjamin X., Tew, David P., Thom, Alex J. W., Wang, Zikuan and Zgid, Dominika 2024. Novel perturbative and variational methods for stronger correlations: general discussion. Faraday Discussions 254 , pp. 191-215. 10.1039/D4FD90041C

Al Jomeh, Ghadah Abdullah S., McGown, Andrew, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Tizzard, Graham J., Coles, Simon J., González-Méndez, Ramón, Dadswell, Chris, Spencer, John and Kostakis, George E. 2024. Mechanochemical Cu(ii) complexes and propargylamine synthetic adventures †. RSC Sustainability 2 (2) , pp. 528-535. 10.1039/d3su00315a
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Al Zoubi, Wail, Al Mahmud, Abdullah, Hazmatulhaq, Farah, Thalji, Mohammad R., Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Kang, Jee‐Hyun and Ko, Young Gun 2024. Origin of the synergistic effects of bimetallic nanoparticles coupled with a metal oxide heterostructure for accelerating catalytic performance. SusMat 4 (3) , e216. 10.1002/sus2.216
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Al-Luaibi, Reem 2024. Development of novel radiolabels for long-term in vitro stem cell tracking. PhD Thesis, Cardiff University.
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Al-Taie, Zahraa S., Coles, Simon J., Congreve, Aileen, Ford, Dylan, Green, Lucy, Horton, Peter N., Jones, Leigh F., Kett, Pippa, Kraehenbuehl, Rolf, Murphy, Patrick J., Tizzard, Graham J., Willmore, Niles B. and Wright, Oliver T. 2024. C2-Symmetric amino acid amide-derived organocatalysts. Reactions 5 (3) , pp. 567-586. 10.3390/reactions5030027
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Alaboosh, Jamal M. H., Hill, Steven P., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869 2024. Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate and (S)-8-(iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide. Acta Crystallographica Section E: Crystallographic Communications 80 (3) , pp. 305-309. 10.1107/S2056989024001129
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Alahmari, Halimah 2024. Synthesis of diverse recyclable polyesters by ring opening copolymerization using group 4 complexes. PhD Thesis, Cardiff University.
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Alavi, Ali, Allen, Marcus, Atalar, Kemal, Berkelbach, Timothy C., Booth, George H., Burton, Hugh G. A., Chan, Garnet Kin-Lic, Craciunescu, Luca, Danilov, Don, Dobrautz, Werner, Evangelista, Francesco A., Filip, Maria-Andreea, Giner, Emmanuel, Greene-Diniz, Gabriel, Grüneis, Andreas, Guo, Yang, Harsha, Gaurav, Ibrahim, Basil, Kapil, Venkat, Kats, Daniel, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Lepetit, Marie-Bernadette, Liao, Ke, Li Manni, Giovanni, Loos, Pierre-François, Magnusson, Erika, Marie, Antoine, Mejuto-Zaera, Carlos, Neese, Frank, Nejad, Arman, Neufeld, Verena A., Pernal, Katarzyna, Plasser, Felix, Prentice, Andrew W., Ravindran, Visagan, Rehman, Umatur, Reiher, Markus, Schilling, Christian, Scuseria, Gustavo, Shee, James, Shi, Benjamin X., Szenes, Kalman, Tew, David P., Thom, Alex J. W., Wang, Zikuan, Zgid, Dominika, Zhu, Andrew and Zwijnenburg, Martijn A. 2024. Stochastic and low-scaling techniques: general discussion. Faraday Discussions 254 , pp. 451-499. 10.1039/D4FD90042A

Alavi, Ali, Atalar, Kemal, Berkelbach, Timothy C., Booth, George H., Chan, Garnet Kin-Lic, Evangelista, Francesco A., Goldzak, Tamar, Grüneis, Andreas, Harsha, Gaurav, Kapil, Venkat, Knowles, Peter ORCID: https://orcid.org/0000-0003-4657-6331, Lepetit, Marie-Bernadette, Liebert, Julia, Nejad, Arman, Neufeld, Verena A., Novoa, Trinidad, Pernal, Katarzyna, Plasser, Felix, Rehman, Umatur, Shi, Benjamin X., Tew, David P., Wang, Zikuan, Mejuto-Zaera, Carlos, Zgid, Dominika, Zhu, Andrew, Zhu, Tianyu and Zwijnenburg, Martijn A. 2024. Correlation in extended systems: general discussion. Faraday Discussions 254 , pp. 682-707. 10.1039/D4FD90044H

Aldred, Matthew P., Li, Fuxuan, Kuang, Rong, Thomas, Owen L., Davies, Thomas E., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Miedziak, Peter J. and Graham, Andrew E. 2024. Nanoporous aluminosilicate mediated synthesis of 2- and 2,2-substituted 2,3-dihydroquinazolin-4(1H)-ones. Tetrahedron Letters 140 , 155037. 10.1016/j.tetlet.2024.155037
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Aleyadah, Layla 2024. Heterogeneous catalysis using noble and non-noble metals nanoparticles supported on metal-oxide catalysts. PhD Thesis, Cardiff University.
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Ali, Basma S., Mohammed, Anber F., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, El-Awady, Raafat and H. M. Abdu-Allah, Hajjaj 2024. Tetrahydrocarbazoles incorporating 5-arylidene-4-thiazolinones as potential antileukemia and antilymphoma targeting tyrosine kinase and tubulin polymerase enzymes: Design, synthesis, structural, biological and molecular docking studies. Bioorganic Chemistry 153 , 107817. 10.1016/j.bioorg.2024.107817
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Ali, Rojan, Wolfe, Campbell S. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2024. Non‐conventional methodologies for the synthesis of N‐Nntrosamines. Chemistry ‐ Methods 4 (4) , e202300053. 10.1002/cmtd.202300053
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Alkahtani, Rawiyah 2024. Design and synthesis of novel chiral iodine(III) reagents and their enantioselective applications. PhD Thesis, Cardiff University.
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Alkhaibari, Ibrahim S., Zhang, Xue, Zhao, Jianzhang, Stonelake, Thomas M., Knighton, Richard C., Horton, Peter N., Coles, Simon J., Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2024. Tuning excited state character in iridium(III) photosensitizers and its influence on TTA-UC. Inorganic Chemistry 63 (21) , pp. 9931-9940. 10.1021/acs.inorgchem.4c01003
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Alsharif, Heba, Conway, Matthew B., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 2024. Controlling the nanoparticle size and shape of a Pt/TiO 2 catalyst for enhanced hydrogenation of furfural to furfuryl alcohol †. RSC Sustainability 2 (12) , pp. 3888-3896. 10.1039/d4su00388h
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Alsidran, Samah H., Court-Wallace, Christopher, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Garwell, Gemma, Guan, Shaoliang, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Ososki, Genevieve 2024. The role of Cu and film thickness on the photocatalytic activity of mesoporous spin coated TiO2 films. Catalysis Today 441 , 114904. 10.1016/j.cattod.2024.114904
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Alzaidi, Ohud 2024. Synthesis of organoselenium compounds via flow electrochemistry. PhD Thesis, Cardiff University.
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Alzaidi, Ohud and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2024. Continuous flow electroselenocyclization of allylamides and Unsaturated Oximes to selenofunctionalized oxazolines and isoxazolines. ACS Organic & Inorganic Au 4 (3) , pp. 350-355. 10.1021/acsorginorgau.4c00008
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Amoroso, Angelo J. ORCID: https://orcid.org/0000-0002-7601-5482 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 2024. Lanthanides for luminescent and magnetic resonance imaging. Feng, Lei and James, Tony D., eds. Imaging Tools for Chemical Biology, Chemical Biology, Royal Society of Chemistry, pp. 48-70. (10.1039/9781837673117-00048)

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Avella, Edwin, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Cuesta, Angel 2024. Inhibition of photocatalyst‐assisted electron transfer at ITIES under simulated solar irradiation‐the role of supporting electrolyte. ChemElectroChem 11 (19) , e202400333. 10.1002/celc.202400333
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Bala, Anu and Kumar, Vijay 2024. Atomic structure, stoichiometry, and electronic properties of CsPbI3 quantum dots using Ab initio calculations. Journal of Physical Chemistry C 128 (35) , pp. 14569-14577. 10.1021/acs.jpcc.4c02142
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Bargiela, Pascal, Fernandez, Vincent, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Fairley, Neal and Baltrusaitis, Jonas 2024. Surface science insight note: A linear algebraic approach to elucidate native films on Fe3O4 surface. Surface and Interface Analysis 56 (4) , pp. 189-199. 10.1002/sia.7290
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Bargiela, Pascal, Fernandez, Vincent, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Richard-Plouet, Mireille, Fairley, Neal and Baltrusaitis, Jonas 2024. Surface chemistry of ion beam modified native titania/Ti interfaces examined using X-ray photoelectron spectroscopy. Results in Surfaces and Interfaces 15 , 100231. 10.1016/j.rsurfi.2024.100231
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Barnes, Alexandra 2024. Promoting supported noble metal catalysts for enhanced activity and selectivity. PhD Thesis, Cardiff University.
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Becerra-Ruiz, Martin, Winterson, Bethan, Pérez, Edwin and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2024. Hydrofluoroether synthesis through one‐pot anodic iodoalkoxylation of alkenes. Advanced Synthesis & Catalysis 10.1002/adsc.202401108
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Bellomi, Silvio, Cano-Blanco, Daniel C., Barlocco, Ilaria, Delgado, Juan J., Chen, Xiaowei, Prati, Laura, Ferri, Davide, Dimitratos, Nikolaos, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Villa, Alberto 2024. Probing the metal/oxide interface of IrCoCeOx in N2H4·H2O decomposition: an experimental and computational study. ACS Applied Materials & Interfaces 16 (40) , 54897–54906. 10.1021/acsami.4c12306
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Bellomi, Silvio, Motta, Davide, Stucchi, Marta, Prati, Laura, Dimitratos, Nikolaos and Villa, Alberto 2024. Hydrogen production from hydrous hydrazine decomposition using Ir catalysts: Effect of the preparation method and the support. Catalysts 14 (2) , 119. 10.3390/catal14020119
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2024. Effect of localization–delocalization transition on thermoelectric properties of Bi2Te2Se topological insulator. APL Energy 2 (1) , 016102. 10.1063/5.0173308
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Ding, Changyu, Pan, Xiaoli, Gow, Isla E., Wu, Xia, Cao, Hongchen, Yu, Zhounan, Liu, Xiaoyan, Yang, Xiaofeng, Liu, Qinggang and Huang, Yanqiang 2024. Regeneration of copper catalysts mediated by molybdenum-based oxides. Journal of Energy Chemistry 95 , pp. 618-625. 10.1016/j.jechem.2024.04.007
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Dong, Mochen 2024. The mechanism, structural and functional specificity of sulfoglycosidases from glycoside hydrolase 20 family. PhD Thesis, Cardiff University.
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Erfan, Abeer, Yousif, Emad, Alshanon, Ahmed, Ahmed, Dina S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2024. Cytotoxic and apoptotic effects of Tin(IV) complexes containing a Schiff base derived from cephalexin on a breast cancer cell line. Indian Journal of Clinical Biochemistry 10.1007/s12291-024-01207-x
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Falcioni, Fabio, Molt, Robert W., Jin, Yi, Waltho, Jonathan P., Hay, Sam, Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 and Blackburn, G. Michael 2024. Arginine kinase activates Arginine for phosphorylation by pyramidalization and polarization. ACS Catalysis 14 (9) , 6650–6658. 10.1021/acscatal.4c00380
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Fernandez, Vincent, Fairley, Neal, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Bargiela, Pascal and Baltrusaitis, Jonas 2024. Surface science insight note: Imaging X‐ray photoelectron spectroscopy. Surface and Interface Analysis 56 (10) , pp. 669-680. 10.1002/sia.7337
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Ferreira, Gabriela F., Ríos Pinto, Luisa F., Filho, Rubens Maciel, Fregolente, Leonardo V., Hayward, James S. and Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X 2024. A comparison of monoglyceride production from microalgaelipids and rapeseed oil catalyzed by metal oxides. Chemistry-Sustainability-Energy-Materials 17 (23) , e202400953. 10.1002/cssc.202400953
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Ferreira, Rúben R., Mosca, Dario, Moreira, Tiago, Wakchaure, Vivek Chandrakant, Romano, Gianvito, Stopin, Antoine, Pinheiro, Carlos, Luci, Alexander M. T., Perdigão, Luís M. A., Costantini, Giovanni, Amenitsch, Heinz, Laia, Cesar A. T., Parola, A. Jorge, Maggini, Laura and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2024. Long-range supramolecular assembly of a pyrene-derivatized polythiophene/MWCNT hybrid for resilient flexible electrochromic displays. ACS Applied Engineering Materials 2 (11) , pp. 2640-2650. 10.1021/acsaenm.4c00534
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Fioco, David ORCID: https://orcid.org/0000-0003-3714-2742, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595, Chiesa, Mario and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 2024. A continuous-wave EPR investigation into the photochemical transformations of the chromium(I) carbonyl complex [Cr(CO)4bis(diphenylphosphino)]+ and reactivity with 1-hexene. Molecules 29 (2) , 392. 10.3390/molecules29020392
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Flack, T., Jobbins, S. A., Boulfelfel, S. E. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2024. Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates (M = Mn, Fe). Hanaor, D. A. H., ed. Computational Design of Battery Materials, Vol. 150. Springer, Cham, pp. 137-167. (10.1007/978-3-031-47303-6_5)

Ford, Joseph, Ortalli, Sebastiano, Chen, Zijun, Sap, Jeroen, Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611 and Gouverneur, Veronique 2024. Expedient access to 18F-fluoroheteroarenes via deaminative radiofluorination of aniline-derived pyridinium salts. Angewandte Chemie 63 (26) , e202404945. 10.1002/anie.202404945
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Frith, Abigail, Clarke, Aimee K., Heyam, Alex, Lynam, Jason M., Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211, Unsworth, William P. and Willans, Charlotte E. 2024. Silver–N-heterocyclic carbenes in π–Activation: Synergistic effects between the ligand ring size and the anion. Organometallics 43 (5) , pp. 598-604. 10.1021/acs.organomet.3c00476
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Galdeano-Ruano, Carmen, Gutiérrez-Tarriño, Silvia, Lopes, Christian W., Mazarío, Jaime, Chinchilla, Lidia E., Agostini, Giovanni, Calvino, Jose J., Holgado, Juan P., Rodríguez-Castellón, Enrique, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Oña-Burgos, Pascual 2024. Developing and understanding Leaching-Resistant cobalt nanoparticles via N/P incorporation for liquid phase hydroformylation. Journal of Catalysis 431 , 115374. 10.1016/j.jcat.2024.115374
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Galdeano-Ruano, Carmen, Márquez, Inmaculada, Lopes, Christian Wittee, Calvente, Juan José, Agostini, Giovanni, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Olloqui-Sariego, José Luis and Oña-Burgos, Pascual 2024. Ultra-low metal loading rhodium phosphide electrode for efficient alkaline hydrogen evolution reaction. International Journal of Hydrogen Energy 51 (Part A) , pp. 1200-1216. 10.1016/j.ijhydene.2023.07.206
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Gangopadhyay, Kaushik, Sanyal, Rajat, Chatterjee, Sharmistha, Singh, Pritam, Shaha, Chandrima, Naskar, Nabanita, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 and Sen, Kamalika 2024. Finding historical linkages between India and Myanmar through archaeological and physicochemical analysis of ceramics c. 1st century BCE to 13th century CE. Journal of Archaeological Science: Reports 60 , 104828. 10.1016/j.jasrep.2024.104828
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Gao, Li, Delle Piane, Massimo, Corno, Marta, Jiang, Fan, Raja, Robert and Pera Titus, Marc 2024. Synthesis of amine derivatives from furoin and furil over Ru/Al2O3 catalyst. Catalysis Science & Technology 14 (9) , pp. 2593-2599. 10.1039/D3CY01605F
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González Requena, Víctor, Srivastava, Prabhakar L. ORCID: https://orcid.org/0000-0002-8219-6419, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2024. Single point mutation abolishes water capture in germacradien‐4‐ol synthase. ChemBioChem 25 (23) , e202400290. 10.1002/cbic.202400290
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Guerzoni, Michael 2024. Development of novel synthetic methodologies using boron Lewis acids. PhD Thesis, Cardiff University.
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Guerzoni, Michael G., van Ingen, Yara, Babaahmadi, Rasool, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2024. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C6F5)3 †. Chemical Science 15 (7) 10.1039/d3sc05672d
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Hadadi, Amnah 2024. Polymer structure in solution for drug delivery from simulation and experiment. PhD Thesis, Cardiff University.
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Hardy, Florence J., Quesne, Matthew G., Gérard, Emilie F., Zhao, Jingming, Ortmayer, Mary, Taylor, Christopher J., Ali, Hafiz S., Slater, Jeffrey W., Levy, Colin W., Heyes, Derren J., Bollinger, J. Martin, de Visser, Sam P. and Green, Anthony P. 2024. Probing ferryl reactivity in a nonheme iron oxygenase using an expanded genetic code. ACS Catalysis 14 (15) , 11584–11590. 10.1021/acscatal.4c02365
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Harvey, Deborah J., Vuts, József, Hooper, Antony, Caulfield, John C., Finch, Paul, Woodcock, Christine M., Gange, Alan C., Chapman, Jason W., Birkett, Michael A. and Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 2024. Novel pheromone-mediated reproductive behaviour in the stag beetle, Lucanus cervus. Scientific Reports 14 , 6037. 10.1038/s41598-024-55985-8
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 and Raithby, Paul R. 2024. Dynamic crystal structure of a molecular framework. Nature Chemistry 16 , pp. 674-675. 10.1038/s41557-024-01514-z
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Warren, Mark R. and Raithby, Paul. R. 2024. Methods in molecular photocrystallography. Acta Crystallographica Section C: Structural Chemistry 80 (10) , C80. 10.1107/s2053229624007460
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Hawkins, Alexander P., Edmeades, Amy E. ORCID: https://orcid.org/0000-0001-7495-3355, Hutchison, Christopher D. M., Towrie, Michael, Howe, Russell F., Greetham, Gregory M. and Donaldson, Paul M. 2024. Laser induced temperature-jump time resolved IR spectroscopy of zeolites. Chemical Science 15 (10) , pp. 3453-3465. 10.1039/D3SC06128K
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He, Qiuming, Lin, Dong, Yin, Defu, Yang, Chaohe, Chen, De and Feng, Xiang 2024. Propene epoxidation with molecular oxygen: Advancements from nanoparticle to single‐atom catalysts. Smart Molecules 2 (4) , e20240025. 10.1002/smo.20240025
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Heßelmann, Andreas, Giner, Emmanuel, Reinhardt, Peter, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Werner, Hans‐Joachim and Toulouse, Julien 2024. A density‐fitting implementation of the density‐based basis‐set correction method. Journal of Computational Chemistry 45 (15) , pp. 1247-1253. 10.1002/jcc.27325
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Hoffman, Alexander E. J., Temmerman, Wim, Campbell, Emma, Damin, Alessandro Ali, Lezcano-Gonzalez, Ines, Beale, Andrew M., Bordiga, Silvia, Hofkens, Johan and Van Speybroeck, Veronique 2024. A critical assessment on calculating vibrational spectra in nanostructured materials. Journal of Chemical Theory and Computation 20 (2) , pp. 513-531. 10.1021/acs.jctc.3c00942
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Hoh, Soon W., Jones, Glenn and Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 2024. A computational study of the structure of anion vacancy defects in the bulk and on the surfaces of ceria. Catalysis Today 442 , 114946. 10.1016/j.cattod.2024.114946
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Huang, Junhao, Klahn, Marcus, Tian, Xinxin, Bartling, Stephan, Zimina, Anna, Radtke, Martin, Rockstroh, Nils, Naliwajko, Pawel, Steinfeldt, Norbert, Peppel, Tim, Grunwaldt, Jan‐Dierk, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Jiao, Haijun and Strunk, Jennifer 2024. Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports. Angewandte Chemie International Edition 10.1002/anie.202400174
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Huang, Junhao, Klahn, Marcus, Tian, Xinxin, Dai, Xingchao, Rabeah, Jabor, Aladin, Victoria, Corzilius, Björn, Bartling, Stephan, Lund, Henrik, Steinfeldt, Norbert, Peppel, Tim, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Jiao, Haijun and Strunk, Jennifer 2024. Exfoliated polymeric carbon nitride nanosheets for photocatalytic applications. ACS Applied Nano Material 7 (7) , 7442–7452. 10.1021/acsanm.4c00133
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Huang, Qi, Zhan, Zhen, Qiao, Yuanting, Pan, Xueting, Xu, Shaojun, Tan, Bien and Wu, Chunfei 2024. Azobenzene-equipped Covalent triazine polymers for Visible-Light-Driven photocatalytic reduction of CO2 to CH4. Fuel 361 , 130646. 10.1016/j.fuel.2023.130646
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Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2024. Guest column: time, money, and great ideas. Niemantverdriet, Hans and Felderhof, Jan Karel, eds. Towards Scientific Leadership: Personal Development Advice for Young Academics, De Gruyter,

Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2024. Catalysis using gold containing materials. Journal of Catalysis 432 , 115392. 10.1016/j.jcat.2024.115392
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Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541, Davidson, Matthew, Rosseinsky, Matthew J. and Williams, Charotte 2024. Preface to ‘Green carbon for the chemical industry of the future’. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 382 (2282) , 20230274. 10.1098/rsta.2023.0274
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Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560, Smith, Louise R. and Sun, Zhao 2024. A smart design of non-noble catalysts for sustainable propane dehydrogenation. Angewandte Chemie International Edition 63 (51) , e202416080. 10.1002/anie.202416080
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Ibraheem, Hanan A., El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S., Hashim, Hassan and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2024. Investigation of the impact of chemical modifications on the photostability of polymethyl methacrylate. International Journal of Polymer Science 2024 , 3354280. 10.1155/2024/3354280
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Ibraheem, Hanan A., El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2024. Modified polymethyl methacrylate as a sustainable medium for capturing carbon dioxide. Materials Letters 372 , 137031. 10.1016/j.matlet.2024.137031
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Islam, Mazharul M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2024. Insights into catalytic oxidative reaction mechanisms of pentane on the Ru(0001) surface. Journal of Physical Chemistry C 10.1021/acs.jpcc.4c05735
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Islam, Mazharul M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2024. Mechanistic pathways for the dehydrogenation of alkanes on Pt(111) and Ru(0001) surfaces. ChemCatChem 16 (11) , e202301386. 10.1002/cctc.202301386
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Jeyachandran, Nivetha, Yuan, Wangchao, Li, Xiang, Muthuperiyanayagam, Akshayini, Gardoni, Stefania, Feng, Jiye, Gao, Qingsheng, Wilding, Martin, Wells, Peter, Tommaso, Devis Di and Giordano, Cristina 2024. Tuning the crystallinity of Cu-based electrocatalysts: Synthesis, structure, and activity towards the CO2 reduction reaction. Applied Materials Today 41 , 102466. 10.1016/j.apmt.2024.102466
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Jima'a, Rawnaq, Shaalan, Naser, Bufaroosha, Muna, El-Hiti, Gamal A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Ahmed, Dina S. and Yousif, Eamd 2024. Synthesis and properties of new metal complexes  containing heterocyclic moieties and investigation  of the role of the metal in carbon dioxide gas capture. Journal of Materials Protection 65 (4) , pp. 734-747. 10.62638/ZasMat1045
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Johnson, Luke A. ORCID: https://orcid.org/0000-0002-6697-6589, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2024. A photoresponsive homing endonuclease for programmed DNA cleavage. ACS Synthetic Biology 13 (1) , pp. 195-205. 10.1021/acssynbio.3c00425
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Joy, Muthipeedika Nibin, Sajith, Ayyiliath Meleveetil, Santra, Sougata, Bhattacherjee, Dhananjay, Beliaev, Nikolai, Zyryanov, Grigory V., Eltsov, Oleg S., Haridas, Karickal Raman and Alshammari, Mohammed B. 2024. Suzuki–Miyaura coupling of aryl fluorosulfates in water: a modified approach for the synthesis of novel coumarin derivatives under mild conditions. Journal of Taibah University for Science 18 (1) , 2347679. 10.1080/16583655.2024.2347679
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Judd-Cooper, Emily 2024. Development of new DNA-binding sensitisers for biosensors. PhD Thesis, Cardiff University.
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Karunakaran, Akalya, Bowen, Chris R., Dunn, Steve, Pham, Thuy-Phuong T., Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Fletcher, Philip J., Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, McKeown, Neil B. and Marken, Frank 2024. Molecularly rigid porous polyamine host enhances barium titanate catalysed H 2 O 2 generation †. New Journal of Chemistry 48 (37) , pp. 16261-16268. 10.1039/d4nj03460k
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Keirouz, Antonios, Jungwirth, Ute, Graf, Arthur and Leese, Hannah S. 2024. Synergistic interface platforms: Designing superhydrophilic conductive nanoparticle‐decorated nanofibrous membranes. Advanced Materials Interfaces 11 (16) , 2400040. 10.1002/admi.202400040
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Kim, Bohyeon, Daniel, Isaac, Douthwaite, Mark, Pattisson, Samuel, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and McIntosh, Steven 2024. Tafel analysis predicts cooperative redox enhancement effects in thermocatalytic alcohol dehydrogenation. ACS Catalysis 14 , pp. 8488-8493. 10.1021/acscatal.3c06103
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Knighton, Richard C. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2024. Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru( ii )/Au( i ) or Ir( iii )/Au( i ) complexes. Dalton Transactions 53 , pp. 4165-4174. 10.1039/d3dt03690a
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Kopp, Richard O., Kleynemeyer, Sabrina L., Groth, Lucie J., Ernst, Moritz J., Rupf, Susanne M., Weber, Manuela, Kershaw Cook, Laurence J., Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Neale, Samuel E. and Müller, Christian 2024. Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines. Chemical Science 15 (15) , pp. 5496-5506. 10.1039/D3SC05930H

Koutentis, Panayiotis A., Abdel-Wahab, Bakr F., Mohamed, Hanan A., Zayed, Ehab M., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2024. Variation of the bromination site on the reaction of (E)-1-[5-methyl-1-(aryl)-1H-1,2,3-triazol-4-yl]-3-arylprop-2-en-1-ones with N-bromosuccinimide. ARKIVOC 2024 (1) , 12214. 10.24820/ark.5550190.p012.214
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Lander, Alexander J., Kong, Yifu, Jin, Yi, Wu, Chuanliu and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2024. Deciphering the synthetic and refolding strategy of a cysteine-rich domain in the tumor necrosis factor receptor (TNF-R) for racemic crystallography analysis and d-peptide ligand discovery. ACS Bio & Med Chem Au 4 (1) , pp. 68-76. 10.1021/acsbiomedchemau.3c00060
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Lawes, Naomi, Aggett, Kieran J., Smith, Louise R., Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Dearg, Malcolm, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2024. Zn loading effects on the selectivity of PdZn catalysts for CO2 hydrogenation to methanol. Catalysis Letters 154 (4) , pp. 1603-1610. 10.1007/s10562-023-04437-5
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Lawes, Naomi, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Fagan, Samantha, Wielgosz, Oskar, Gow, Isla E., Smith, Louise R., Slater, Thomas J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Davies, Thomas E., Aggett, Kieran J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2024. CO2 hydrogenation to methanol on intermetallic PdGa and PdIn catalysts and the effect of Zn co-deposition. Applied Catalysis A: General 679 , 119735. 10.1016/j.apcata.2024.119735
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Lethbridge, Sean, Pavloudis, Theodoros, McCormack, James, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Kioseoglou, Joseph and Palmer, Richard E. 2024. Stabilization of 2D raft structures of Au nanoclusters with up to 60 atoms by a carbon support. Small Science 4 (8) , 2400093. 10.1002/smsc.202400093
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Lewis, Richard J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2024. Selective oxidation using In situ-generated hydrogen peroxide. Accounts of Chemical Research 57 (1) , 106–119. 10.1021/acs.accounts.3c00581
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Lewis, Sam G., Coulson, Ben A. ORCID: https://orcid.org/0000-0002-3082-2377, Warren, Anna J., Warren, Mark R. and Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 2024. Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals. Communications Chemistry 7 (1) , 264. 10.1038/s42004-024-01360-7
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Li, Xiaoliang, Zhao, Liang, Douthwaite, Mark, Wang, Kai, Akdim, Ouardia, Daniel, Isaac T., Oh, Rena, Liu, Lei, Wang, Zhe, Meng, Fanhui, Pattisson, Samuel, Lopez-Martin, Angeles, Yang, Jian, Huang, Xiaoyang Jerry, Lewis, Richard J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2024. Solvent-free benzyl alcohol oxidation using spatially separated carbon-supported Au and Pd nanoparticles. ACS Catalysis 14 , 16551–16561. 10.1021/acscatal.4c05019
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Li, Xin, Rui, Peng, Huang, Wenfei, Yao, Xin, Ye, Yuewen, Ye, Tongqi, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Carter, James H. 2024. Propane dehydrogenation using platinum supported on gallium-doped silica. Catalysis Letters 154 , pp. 634-642. 10.1007/s10562-023-04328-9
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Li, Zihe, Roscow, James, Khanbareh, Hamideh, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Han, Guifang, Qin, Jingyu, Haswell, Geoff, Wolverson, Daniel and Bowen, Chris 2024. Porous structure enhances the longitudinal piezoelectric coefficient and electromechanical coupling coefficient of lead‐free (Ba 0.85 Ca 0.15 )(Zr 0.1 Ti 0.9 )O 3. Advanced Science 11 , 2406255. 10.1002/advs.202406255
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Liang, Yu, He, Jieting, An, Yurong, Zhang, Jiaxing, Park, Gyeong-Su, Zhao, Liang, Oh, Rena, Huang, Xiaoyang, Dong, Jinxiang and Liu, Lei 2024. Boosting selective hydrogenation of α,β-unsaturated aldehydes through constructing independent Pt and Fe active sites on support. Chemical Engineering Journal 484 , 149670. 10.1016/j.cej.2024.149670
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Lim, Jihoo, Kim, Jaehui, Davies-Jones, Josh, Danaie, Mohsen, Choi, Eunyoung, Shim, Hongjae, Chen, Liang, Kim, Jincheol, Kim, Judy S., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Seidel, Jan, Green, Martin A., Stranks, Samuel D., Il Seok, Sang and Yun, Jae Sung 2024. Benign methylformamidinium byproduct induced by cation heterogeneity inhibits local formation of δ-phase perovskites. Energy & Environmental Science 17 (23) , pp. 9134-9143. 10.1039/D4EE03058C
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Lin, Dong, Lewis, Richard J., Feng, Xiang and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2024. Selective Oxidation by TS-1 coupled with in-situ Synthesised H2O2. Fundamental Research 10.1016/j.fmre.2024.03.023
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Lindley, Matthew, Stishenko, Pavel, Crawley, James W. M., Tinkamanyire, Fred, Smith, Matthew, Paterson, James, Peacock, Mark, Xu, Zhuoran, Hardacre, Christopher, Walton, Alex S., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Haigh, Sarah J. 2024. Tuning the size of TiO2-supported Co nanoparticle Fischer-Tropsch catalysts using Mn additions. ACS Catalysis 14 , 10648–10657. 10.1021/acscatal.4c02721
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Liu, Han-Ying, Kenar, Jakub, Neale, Samuel E., Garofalo, Marta, Hill, Michael S., McMullin, Claire L., Mahon, Mary F. and Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 2024. Group 11 Bis(alumanyl)metallates. Organometallics 43 (23) , pp. 3074-3086. 10.1021/acs.organomet.4c00460
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Liu, Han-Ying, Neale, Samuel E., Hill, Michael S., Mahon, Mary F., McMullin, Claire L. and Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 2024. [{SiNDipp}MgNa]2: A potent molecular reducing agent. Organometallics 43 (8) , pp. 879-888. 10.1021/acs.organomet.4c00076
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Liu, Ye, Yuan, Haiyang, Zhang, Bin, Zhang, Lei, Xu, Qingling, Dong, Minghua, Wang, Tianjiao, Cheng, Xiaomeng, Qi, Haifeng, Zhao, Zhijuan, Chen, Lihua, Su, Baolian, Han, Buxing and Liu, Huizhen 2024. Non-noble Ni@NbOx Catalyst for Selective Hydrodehydroxylation of 5-Hydroxymethylfurfural to 5-Methylfurfural. ACS Sustainable Chemistry and Engineering 12 (44) , pp. 16202-16211. 10.1021/acssuschemeng.4c04684
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Lou, Yao-Yin, Zheng, Qi-Zheng, Zhou, Shi-Yuan, Fang, Jia-Yi, Akdim, Ouardia, Ding, Xing-Yu, Oh, Rena, Park, Gyeong-Su, Huang, Xiaoyang and Sun, Shi-Gang 2024. Phase-dependent electrocatalytic nitrate reduction to ammonia on Janus Cu@Ni tandem catalyst. ACS Catalysis 14 , 5098–5108. 10.1021/acscatal.4c00479
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Lu, Shan, Ma, Zeyu, Ding, Mingwei, Wu, Yuhao, Chen, Yuanli, Dong, Mochen and Qin, Liguo 2024. Reversible electroadhesion induced through low ion concentration migration for biomedical applications. Chemical Engineering Journal 486 , 150393. 10.1016/j.cej.2024.150393
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Lu, Xiuyuan and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2024. Ammonia cracking on single-atom catalysts: A mechanistic and microkinetic study. Applied Catalysis A: General 673 , 119589. 10.1016/j.apcata.2024.119589
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Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2024. Enhanced visible-light photocatalytic activity of FeVO4/Bi2WO6 heterojunction via Z-scheme charge-transfer mechanism. Materials Research Bulletin 170 , 112560. 10.1016/j.materresbull.2023.112560
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Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon, Watwiangkham, Athis, Jungsuttiwong, Siriporn and Kaowphong, Sulawan 2024. Ethylene glycol-assisted microwave synthesis of bismuth-rich oxychlorides photocatalysts with oxygen vacancies for efficient degradation of bisphenol A and oxidation of arsenite. Journal of Environmental Chemical Engineering 12 (5) , 114100. 10.1016/j.jece.2024.114100
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Maashi, Hussain A., Husayni, Abdulrahman H., Harnedy, James and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2024. Electrochemical deconstructive functionalization of arylcycloalkanes via fragmentation of anodically generated aromatic radical cations. Chemical Communications 60 (80) , pp. 11190-11201. 10.1039/d4cc03279a
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Maashi, Hussain A., Husayni, Abdulrahman H., M, Kharou, Reid, Michael E., Harnedy, James, Herneman, Ethan C., Pera-Titus, Marc and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2024. Electrochemical synthesis of C(sp 3 )‑rich heterocycles via mesolytic cleavage of anodically generated aromatic radical cations. Organic Letters 26 (42) , pp. 9051-9055. 10.1021/acs.orglett.4c03091
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Maashi, Hussain A., Lewis‐Atwell, Toby, Harnedy, James, Grayson, Matthew N. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2024. Electrochemical deconstructive methoxylation of arylalcohols–A synthetic and mechanistic investigation. Chemistry - A European Journal 30 (65) , e202403413. 10.1002/chem.202403413
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Mann, Patrick, Fairclough, Simon M., Bourke, Struan, Burkitt Gray, Mary, Urbano, Laura, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Dailey, Lea Ann, Thanou, Maya, Long, Nicholas J. and Green, Mark A. 2024. Interface engineering of water-dispersible near-infrared-emitting CuInZnS/ZnSe/ZnS quantum dots. Crystal Growth and Design 24 (15) , pp. 6275-6283. 10.1021/acs.cgd.4c00528
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Medina, J. C., Warren, Eleanor, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Gow, Isla E. and Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827 2024. Influence of Pd, Pt and Au nanoparticles in the photocatalytic performance of N-TiO 2 support under visible light. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 382 (2282) , 20230271. 10.1098/rsta.2023.0271
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Mohamed‐Ezzat, Reham A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Azzam, Rasha A. 2024. Discovery of promising sulfadiazine derivatives with anti‐proliferative activity against tumor cell lines. Journal of Heterocyclic Chemistry 61 (12) , pp. 1980-1998. 10.1002/jhet.4893
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Abdel-Wahab, Bakr F., Farahat, Abdelbasset A., Bekheit, Mohamed S., Yousif, Emad, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2023. (E)-5-(4-Methoxyphenyl)-N?-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide. IUCrData 8 (5) , x230455. 10.1107/S2414314623004558
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Abdel-Wahab, Bakr F., Farahat, Abdelbasset A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 2023. ( E )-1-(5-methyl-1-(4-nitrophenyl)-1 H -1,2,3-triazol-4-yl)ethan-1-one oxime. Molbank 2023 , M1593. 10.3390/m1593
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Abdel-Wahab, Bakr F., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Mohamed, Hanan A., Bekheit, Mohamed S. and El-Hiti, Gamal A. 2023. Synthesis of new derivatives of the 1H-1,2,3-triazole ring using 1-aryl-5-phenyl-1H-1,2,3-triazole-4-carbohydrazides as precursors. ARKIVOC (7) 10.24820/ark.5550190.p012.020
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Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 2023. (2 Z,5 Z )-5-((3-(Benzofuran-2-yl)-1-phenyl-1 H -pyrazol-4-yl)methylene)-2-((4-methoxyphenyl)imino)-3-phenylthiazolidin-4-one. Molbank 2023 (2) , M1665. 10.3390/m1665
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Allen, Lisa, Agote-Arán, Miren, Beale, Andrew M., Cong, Peixi, Mediavilla Madrigal, Sofia and Price, Stephen W.T. 2023. EXAFS studies of inorganic catalytic materials. Reedijk, Jan and Poeppelmeier, Kenneth R., eds. Comprehensive Inorganic Chemistry III, Elsevier, pp. 108-148. (10.1016/B978-0-12-823144-9.00158-8)

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Almoteiry, Ahlam 2023. Enhancing propane dehydrogenation: Insights into oxidative dehydrogenation and total oxidation pathways. PhD Thesis, Cardiff University.
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Alreshidi, Maha 2023. Developing heterogeneous catalysts for biomass conversion. PhD Thesis, Cardiff University.
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Alsharif, Heba 2023. Generation and use of nanoparticles for selective organic transformation. PhD Thesis, Cardiff University.
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Amer, Mabrook S., Arunachalam, Prabhakarn, Ghanem, Mohamed A., Al-Mayouf, Abdullah M. and Weller, Mark T. 2023. Photoelectrochemical performance of strontium titanium oxynitride photo-activated with cobalt phosphate nanoparticles for oxidation of alkaline water. Nanomaterials 13 (5) , 920. 10.3390/nano13050920
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Avard, Rachel C., Broad, Megan L., Zandkarimi, Fereshteh, Devanny, Alexander J., Hammer, Joseph L., Yu, Karen, Guzman, Asja and Kaufman, Laura J. 2023. DISC-3D: dual-hydrogel system enhances optical imaging and enables correlative mass spectrometry imaging of invading multicellular tumor spheroids. Scientific Reports 13 , 12383. 10.1038/s41598-023-38699-1
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Ayama-Canden, Sophie, Tondo, Rodolfo, Pineros Leyton, Martha Liliana, Ninane, Noëlle, Demazy, Catherine, Dieu, Marc, Fattaccioli, Antoine, Sauvage, Aude, Tabarrant, Tijani, Lucas, Stéphane, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 and Michiels, Carine 2023. Indacaterol inhibits collective cell migration and IGDQ-mediated single cell migration in metastatic breast cancer MDA-MB-231 cells. Cell Communication and Signaling 21 , 301. 10.1186/s12964-023-01340-9
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Azizova, Liana R., Kulik, Tetiana V., Palianytsia, Borys B., Ilchenko, Mykola M., Telbiz, German M., Balu, Alina M., Tarnavskiy, Sergiy, Luque, Rafael, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Kartel, Mykola T. 2023. The role of surface complexes in ketenes formation from fatty acids via pyrolysis over silica: from platform molecules to waste biomass. Journal of the American Chemical Society 145 (49) , pp. 26592-26610. 10.1021/jacs.3c06966
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Baragau, Ioan-Alexandru, Buckeridge, John, Nguyen, Kiem, Heil, Tobias, Sajjad, Tariq, Thomson, Stuart A. J., Rennie, Alistair, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Power, Nicholas P, Nicolae, Sabina, Titirici, Maria-Magdalena, Dunn, Steven and Kellici, Suela 2023. Outstanding visible light photocatalysis by nano-TiO2 hybrids with nitrogen-doped carbon quantum dots and/or reduced graphene oxide. Journal of Materials Chemistry A: materials for energy and sustainability 11 (18) 10.1039/D2TA09586F
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Basu, Shalmali, Das, Debashree, Ansari, Zarina, Rana, Nabakumar, Majhi, Bhim, Patra, Dipendu, Kanungo, Ajay, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Dutta, Sanjay and Sen, Kamalika 2023. A multispectroscopic approach for ultra-trace sensing of prostate specific antigen (PSA) by iron nanocomposite fabricated on graphene nanoplatelet. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 301 , 122955. 10.1016/j.saa.2023.122955
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Basu, Shalmali, Das, Debashree, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Hazra, Bibhas, Saha, Abhijit and Sen, Kamalika 2023. Green synthesis of copper iodide nanoparticles: gamma irradiation for spectroscopic sensing of cancer biomarker CA 19-9. Journal of Radioanalytical and Nuclear Chemistry 332 (9) , 3763–3778. 10.1007/s10967-023-09056-3
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Beevers, Cameron, Francis, Samantha and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2023. Symmetry analysis of irregular objects. Journal of Mathematical Chemistry 10.1007/s10910-022-01423-x
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Bekheit, Mohamed S., Panda, Siva S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Mahmoud, Sara H., Mostafa, Ahmed and Girgis, Adel S. 2023. Spiroindole-containing compounds bearing phosphonate group of potential Mpro-SARS-CoV-2 inhibitory properties. European Journal of Medicinal Chemistry 258 , 115563. 10.1016/j.ejmech.2023.115563
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Bellomi, Silvio, Barlocco, Ilaria, Tumiati, Simone, Fumagalli, Patrizia, Dimitratos, Nikolaos, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Villa, Alberto 2023. Effect of oxygen functionalities on the hydrous hydrazine decomposition over carbonaceous materials. Dalton Transactions 52 (43) , pp. 15871-15877. 10.1039/D3DT02310A
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Bellomi, Silvio, Barlocco, Ilaria, Chen, Xiaowei, Delgado, Juan J., Arrigo, Rosa, Dimitratos, Nikolaos, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Villa, Alberto 2023. Enhanced stability of sub-nanometric Iridium decorated graphitic carbon nitride for H2 production upon hydrous hydrazine decomposition. Physical Chemistry Chemical Physics 25 (2) , pp. 1081-1095. 10.1039/D2CP04387D
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Beynon, Owain T. ORCID: https://orcid.org/0000-0003-3165-4472, Owens, Alun, Tarantino, Giulia, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2023. Computational study of the solid-state incorporation of Sn(II) Acetate into Zeolite β. Journal of Physical Chemistry C 127 (38) , pp. 19072-19087. 10.1021/acs.jpcc.3c02679
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Beynon, OwainT., Owens, Alun, Carbogno, Christian and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2023. Evaluating the role of anharmonic vibrations in zeolite β materials. Journal of Physical Chemistry C 127 (32) , pp. 16030-16040. 10.1021/acs.jpcc.3c02863
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Bijaya, Bijaya K., Lingden, Chetan Prasad, Pokhrel, Tamlal, Paudel, Manisha, Sajid, Kiran, Adhikari, Achyut, Shirinfar, Bahareh and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2023. Cathodic electrolysis: Electroreductive organic synthesis. ChemElectroChem 10 (23) , e202300289. 10.1002/celc.202300289
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Bijaya, B.K., Pokhrel, Tamlal, Shrestha, Dipesh, Adhikari, Achyut, Shirinfar, Bahareh and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2023. Electrodes selection in electro-organic synthesis. Wandelt, Klaus and Bussetti, Gianlorenzo, eds. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, pp. 23-35. (10.1016/B978-0-323-85669-0.00048-9)

Boruah, Tribani, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2023. Isodesmic metathesis chemistry: A novel way to recycle P(V). Chem Catalysis 3 (8) , 100731. 10.1016/j.checat.2023.100731
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Bousser, Etienne, Rogov, Aleksey, Shashkov, Pavel, Gholinia, Ali, Laugel, Nicolas, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Withers, Philip J., Matthews, Allan and Yerokhin, Aleksey 2023. Phase transitions in alumina films during post-sparking anodising of Al alloys. Acta Materialia 244 , 118587. 10.1016/j.actamat.2022.118587
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Bramley, Gabriel Adrian, Beynon, Owain Tomos ORCID: https://orcid.org/0000-0003-3165-4472, Stishenko, Pavel Viktorovich and Logsdail, Andrew James ORCID: https://orcid.org/0000-0002-2277-415X 2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25 (9) , pp. 6562-6585. 10.1039/d2cp04537k
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Brehm, Joseph 2023. The development of a chemo-enzymatic one-pot cascade towards cyclohexane oxidation and biomass degradation via in-situ generated H2O2. PhD Thesis, Cardiff University.
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Bressan, Giovanni, Heisler, Ismael A., Greetham, Gregory M., Edmeades, Amy ORCID: https://orcid.org/0000-0001-7495-3355 and Meech, Stephen R. 2023. Half-broadband two-dimensional electronic spectroscopy with active noise reduction. Optics Express 31 (25) , pp. 42687-42700. 10.1364/OE.500017
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Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 and Bagley, Scott W. 2023. A focus on computer vision for non-contact monitoring of catalyst degradation and product formation kinetics. Chemical Science 14 (40) , pp. 10994-10996. 10.1039/d3sc90145a
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Cao, Jingxian, Lewis, Richard J., Qi, Guodong, Bethell, Donald, Howard, Mark J., Harrison, Brian, Yao, Bingqing, He, Qian, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Ni, Fenglou, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Li, Xu, Deng, Feng, Xu, Jun and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Methane conversion to methanol using Au/ZSM-5 is promoted by carbon. ACS Catalysis 13 (11) , pp. 7199-7209. 10.1021/acscatal.3c01226
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Cardella, Davide, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2023. Towards the use of an amino acid cleavable linker for solid-phase chemical synthesis of peptides and proteins. Organic and Biomolecular Chemistry 21 , pp. 966-969. 10.1039/d2ob02198f
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Carpenter, Barry K. ORCID: https://orcid.org/0000-0002-5470-0278 2023. Prediction of kinetic product ratios: investigation of a dynamically controlled case. The Journal of Physical Chemistry A 127 , pp. 224-239. 10.1021/acs.jpca.2c08301
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Carter, James H., Lewis, Richard J., Demetriou, Nikolas, Williams, Christopher, Davies, Thomas, Qin, Tian, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Liu, Xi, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. The selective oxidation of methane to methanol using in situ generated H 2 O 2 over palladium-based bimetallic catalysts †. Catalysis Science & Technology 10.1039/d3cy00116d
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Cascone, Pasquale, Vuts, Jozsef, Birkett, Michael A., Dewhirst, Sarah, Rasmann, Sergio, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Guerrieri, Emilio 2023. L-DOPA functions as a plant pheromone for belowground anti-herbivory communication. Ecology Letters 26 (3) , pp. 460-469. 10.1111/ele.14164
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Cascone, Pasquale, Vuts, Jozsef, Birkett, Michael A., Rasmann, Sergio, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Guerrieri, Emilio 2023. Small volatile lipophilic molecules induced belowground by aphid attack elicit a defensive response in neighbouring un-infested plants. Frontiers in Plant Science 14 10.3389/fpls.2023.1154587
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Chutia, Arunabhiram and Quesne, Matthew G. 2023. Computational modelling in catalytic science. Physical Chemistry Chemical Physics 25 (31) , pp. 20775-20776. 10.1039/D3CP90127K
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2023. Crystal structure prediction: achievements and opportunities. IUCrJ 10 (2) , pp. 143-144. 10.1107/S2052252523001835
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Michaelides, Angelos and Woodley, Scott M. 2023. Supercomputing modelling of advanced materials: preface. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2250) , 20220252. 10.1098/rsta.2022.0252
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Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541 2023. Catalysis Hub special collection: editorial. Royal Society Open Science 10 (5) , 230484. 10.1098/rsos.230484
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Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Inceesungvorn, Burapat and Kaowphong, Sulawan 2023. Bismuth-rich oxyhalide (Bi7O9I3?Bi4O5Br2) solid-solution photocatalysts for the degradation of phenolic compounds under visible light. Journal of Colloid and Interface Science 641 , pp. 595-609. 10.1016/j.jcis.2023.03.063
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Chaudhuri, Shayantan, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Maurer, Reinhard J. 2023. Stability of single gold atoms on defective and doped diamond surfaces. Journal of Physical Chemistry C 127 (32) , pp. 16187-16203. 10.1021/acs.jpcc.3c03900
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Costley‐Wood, Lucy G, Mohammed, Khaled, Carravetta, Marina, Decarolis, Donato, Goguet, Alexandre, Kordatos, Apostolos, Vakili, Reza, Manyar, Haresh, McPake, Erin, Skylaris, Chris‐Kriton, Thompson, Paul, Gibson, Emma K and Wells, Peter P. 2023. Towards the operational window for nitridic and carbidic palladium nanoparticles for directed catalysis. ChemCatChem 15 (21) , e202300870. 10.1002/cctc.202300870
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Court-Wallace, Christopher, Davies, Philip ORCID: https://orcid.org/0000-0003-4394-766X, Davies-Jones, Josh and Ososki, Genevieve 2023. PiFM and XPS Studies of Porous TiO2 Films for the Photocatalytic Decomposition of Polystyrene. Catalysts 13 (4) 10.3390/catal13040725
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Cousin, Samuel François, Hughes, Colan E., Ziarelli, Fabio, Viel, Stéphane, Mollica, Giulia, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Pinon, Arthur C. and Thureau, Pierre 2023. Exploiting solid-state dynamic nuclear polarization NMR spectroscopy to establish the spatial distribution of polymorphic phases in a solid material. Chemical Science 14 , pp. 10121-10128. 10.1039/D3SC02063K
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Craco, Luis and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2023. Orbital-selective mixed-valent Mott/metal phase coexistence in NdNiO2 films. Physical Review Materials 7 (4) , 044802. 10.1103/PhysRevMaterials.7.044802
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Craco, L. and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2023. Normal-state correlated electronic structure of the tetragonal TlNi2Se2 superconductor. Physical Review B 108 (4) , 045140. 10.1103/PhysRevB.108.045140
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Crawley, James 2023. The rational synthesis and catalytic testing of heterogeneous multimetallic nanoparticles for the hydrogenation of CO2. MPhil Thesis, Cardiff University.
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Cull, William J., Skowron, Stephen T., Hayter, Ruth, Stoppiello, Craig T., Rance, Graham A., Biskupek, Johannes, Kudrynskyi, Zakhar R., Kovalyuk, Zakhar D., Allen, Christopher S., Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Kaiser, Ute, Patanè, Amalia and Khlobystov, Andrei N. 2023. Subnanometer-Wide Indium Selenide Nanoribbons. ACS Nano 17 (6) , pp. 6062-6072. 10.1021/acsnano.3c00670
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Daisley, Angela, Higham, Michael, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Hargreaves, Justin S. J. 2023. Experimental and theoretical investigations on the anti-perovskite nitrides Co 3 CuN, Ni 3 CuN and Co 3 MoN for ammonia synthesis †. Faraday Discussions 243 , pp. 97-125. 10.1039/d2fd00151a
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Daltoé, Renata Dalmaschio, Rangel, Leticia Batista Azevedo, Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Madeira, Klesia Pirola, Porto, Marcella Leite, Meirelles, Silvana Santos, dos Santos Guimarães, Isabella, Filho, Éclair Venturini, Pereira, Alan Reinke, de Queiroz Ferreira, Rafael, dos Santos, Gabriel Fernandes Souza, de França Schaffel, Izabela, de Mesquita Carneiro, José Walkimar, Silva, Artur M. S. and Greco, Sandro José 2023. Synthetic naphthoquinone derivatives as anticancer agents in ovarian cancer: cytotoxicity assay and investigation of possible biological mechanisms action. Chemistry and Biodiversity 20 (2) , e202200807. 10.1002/cbdv.202200807

Damoyi, Nkululeko E., Friedrich, Holger B., Kruger, Gert H. and Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 2023. A DFT study of the catalytic ODH of n-hexane over a cluster model of vanadium oxide. Molecular Catalysis 541 , 113078. 10.1016/j.mcat.2023.113078
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De Luca, Cristian, Zanetti, Davide, Battisti, Tommaso, Ferreira, Rúben R., Lopez, Sofia, McMillan, Alexander H., Lesher‐Pérez, Sasha Cai, Maggini, Laura and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2023. Photoreduction of anthracenes catalyzed by peri ‐xanthenoxanthene: a scalable and sustainable Birch‐type alternative. Chemistry - A European Journal 29 (63) , e202302129. 10.1002/chem.202302129
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Dearg, Malcolm, Roncaglia, Cesare, Nelli, Diana, El Koraychy, El Yakout, Ferrando, Riccardo, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551 and Palmer, Richard E. 2023. Frame-by-frame observations of structure fluctuations in single mass-selected Au clusters using aberration-corrected electron microscopy. Nanoscale Horizons 10.1039/d3nh00291h
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Decarolis, Donato and Odarchenko, Yaroslav 2023. Chapter 8: Advancements of synchrotron radiation techniques in catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 295-325. (10.1142/9781800612013_0008)

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Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Dlamini, Mbongiseni, Pattisson, Samuel, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, Charles ORCID: https://orcid.org/0000-0002-1341-1541 2023. The effect of dissolved chlorides on the photocatalytic degradation properties of titania in wastewater treatment. Physical Chemistry Chemical Physics 25 , pp. 4161-4176. 10.1039/D2CP03140J
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Dempsey, Seán D., Ryan, Ailbhe A., Smyth, Megan, Moody, Thomas S., Wharry, Scott, Fahey, Karen, Beale, Andrew M., Mediavilla Madrigal, Sofia, Dingwall, Paul, Rooney, David W., Knipe, Peter C., Muldoon, Mark J. and Thompson, Jillian M. 2023. Continuous-flow transfer hydrogenation of benzonitrile using formate as a safe and sustainable source of hydrogen †. Reaction Chemistry and Engineering 10.1039/d3re00195d
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Dettling, Lea, Limberg, Niklas, Küppers, Raphaela, Frost, Daniel, Weber, Manuela, Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Andrada, Diego M. and Müller, Christian 2023. Phosphorus derivatives of mesoionic carbenes: synthesis and characterization of triazaphosphole-5-ylidene → BF3 adducts. Chemical Communications 59 (68) , pp. 10243-10246. 10.1039/D3CC03268J

Douglas, EdwardJ. A., Marshall, Brandon, Alghamadi, Arwa, Joseph, Erin A., Duggan, Seána, Vittorio, Serena, De Luca, Laura, Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910 and Laabei, Maisem 2023. Improved antibacterial activity of 1,3,4-oxadiazole-based compounds that restrict Staphylococcus aureus growth independent of LtaS function. ACS Infectious Diseases 9 (11) , pp. 2141-2159. 10.1021/acsinfecdis.3c00250
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Ducker, Charles, French, Stanley, Pathak, Monika, Taylor, Harry, Sainter, Adam, Askem, William, Dreveny, Ingrid, Santana, Antônio Euzébio Goulart, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Oldham, Neil J. 2023. Characterisation of geranylgeranyl diphosphate synthase from the sandfly Lutzomyia longipalpis. Insect Biochemistry and Molecular Biology 161 , 104001. 10.1016/j.ibmb.2023.104001
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Elgehani, Albara 2023. Electrochemical generation and utilisation of Alkoxy Radicals. PhD Thesis, Cardiff University.
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ElGehani, Albara A. M. A., Maashi, Hussain A., Harnedy, James and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2023. Electrochemical generation and utilization of alkoxy radicals. Chemical Communications 59 (25) , pp. 3655-3664. 10.1039/d3cc00302g
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Elliott, Mark ORCID: https://orcid.org/0000-0003-0132-0818 2023. Building skills in organic chemistry: Pi-Bonds and problem-solving. Independently published.

Emad, Noor, El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2023. Synthesis, physical properties, and carbon dioxide uptake of new metal-sulfamethoxazole complexes. Results in Chemistry 6 , 101137. 10.1016/j.rechem.2023.101137
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Emad, Noor, El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S., Fadhil, Marwa and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2023. New metal complexes containing a methyldopa Schiff base for carbon dioxide storage. Results in Chemistry 6 , 101099. 10.1016/j.rechem.2023.101099
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Emad, Noor, El-Hiti, Gamal A., Yousif, Emad and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2023. Metal oxide nanoparticles containing clotrimazole to suppress photodegradation of poly(vinyl chloride) thin films. Polymers 15 (7) , 1632. 10.3390/polym15071632
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Fernandez, Vincent, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Bargiela, Pascal, Fairley, Neal and Baltrusaitis, Jonas 2023. Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose. Applied Surface Science 614 , 156182. 10.1016/j.apsusc.2022.156182
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Fioco, David ORCID: https://orcid.org/0000-0003-3714-2742 2023. Paramagnetic species in catalysis research: An EPR investigation into the photochemistry and reactivity of Cr(I) complexes. PhD Thesis, Cardiff University.
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Fitzgerald, Sophie A., Payce, Ellie N., Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2023. 2-(Thienyl)quinoxaline derivatives and their application in Ir( iii ) complexes yielding tuneable deep red emitters †. Dalton Transactions 52 (44) , p. 16480. 10.1039/d3dt02193a
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Fitzgerald, Sophie 2023. Tuning the photophysics of Ir(III) and Pt(II) complexes by synthetic modification of quinoxaline ligands. PhD Thesis, Cardiff University.
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Gao, L., Jiang, Z., Miletto, I., Gianotti, E., Rebmann, E., Baussaron, L., Jiang, F. and Pera Titus, M. 2023. Robust Pd/Al2O3 bifunctional catalyst for single reactor tandem synthesis of furan and tetrahydrofuran derivatives from furfural. Chemical Engineering Journal 473 , 145021. 10.1016/j.cej.2023.145021
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Gow, Isla 2023. New trimetallic nanoparticles as catalysts for the conversion of carbon dioxide to renewable fuels. PhD Thesis, Cardiff University.
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Green, Christopher, Bilyanska, Antoaneta, Bradley, Mags, Dinsdale, Jason, Hutt, Lorraine, Backhaus, Thomas, Boons, Frank, Bott, David, Collins, Chris, Cornell, Sarah E., Craig, Mark, Depledge, Michael, Diderich, Bob, Fuller, Richard, Galloway, Tamara S., Hutchison, Gary R., Ingrey, Nicola, Johnson, Andrew C., Kupka, Rachael, Matthiessen, Peter, Oliver, Robin, Owen, Stewart, Owens, Susan, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Robinson, Sam, Sims, Kerry, Smith, Pete, Sumpter, John P., Tretsiakova?McNally, Svetlana, Wang, Mengjiao, Welton, Tom, Willis, Katherine J. and Lynch, Iseult 2023. A horizon scan to support chemical pollution-related policymaking for sustainable and climate-resilient economies. Environmental Toxicology and Chemistry 42 (6) , pp. 1212-1228. 10.1002/etc.5620
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Gupta, Priyanka, Drexler, Hans-Joachim, Wingad, Richard, Wass, Duncan ORCID: https://orcid.org/0000-0002-0356-7067, Baráth, Eszter, Beweries, Torsten and Hering-Junghans, Christian 2023. P,N-type phosphaalkene-based Ir(i) complexes: synthesis, coordination chemistry, and catalytic applications. Inorganic Chemistry Frontiers 10 (8) , pp. 2285-2293. 10.1039/D3QI00142C
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Gurr, Geoff M., Liu, Jian, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Stevenson, Philip C. 2023. Review of the chemical ecology of homoterpenes in arthropod-plant interactions. Austral Entomology 10.1111/aen.12629
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Harnedy, James, Maashi, Hussain A., El Gehani, Albara A. M. A., Burns, Matthew and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2023. Deconstructive functionalization of unstrained cycloalkanols via electrochemically generated aromatic radical cations. Organic Letters 25 (9) , pp. 1486-1490. 10.1021/acs.orglett.3c00219
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Hawkins, Ben 2023. The study of catalytic removal of acetaldehyde from reprocessed pet: from catalyst design to kinetics. PhD Thesis, Cardiff University.
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Jones, Kennedy R. 2023. Designing bifunctional heterogeneous catalysts for the upgrading of bioderived alcohols. PhD Thesis, Cardiff University.
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Knighton, Richard C., Beames, Joseph M. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2023. Polycationic Ru(II) luminophores: syntheses, photophysics, and application in electrostatically driven sensitization of lanthanide luminescence. Inorganic Chemistry 62 (48) , pp. 19446-19456. 10.1021/acs.inorgchem.3c02352
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Konadu, Destiny, Kwawu, Caroline R., Menkah, Elliot S., Tia, Richard, Adei, Evans and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2023. The catalytic hydrogenolysis of compounds derived from guaiacol on the Cu (111) surface: mechanisms from DFT studies. Physical Chemistry Chemical Physics 25 (8) , pp. 6247-6252. 10.1039/D2CP04352A
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Kovačič, Dávid, Lewis, Richard J., Crombie, Caitlin M., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., López-Martín, Ángeles, Qin, Tian, Allen, Christopher S., Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Chen, Liwei, Skjøth-Rasmussen, Martin Skov, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. A comparative study of palladium-gold and palladium-tin catalysts in the direct synthesis of H2O2. Green Chemistry 25 (24) , pp. 10436-10446. 10.1039/d3gc03706a
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Kowalec, Igor 2023. Surfaces of Pd-based alloys as catalysts for CO2 activation and hydrogenation to methanol. PhD Thesis, Cardiff University.
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La Manna, Sara, Roviello, Valentina, Monaco, Vittoria, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Monti, Maria, Gabano, Elisabetta, Ravera, Mauro and Marasco, Daniela 2023. The inhibitory effects of platinum( ii ) complexes on amyloid aggregation: a theoretical and experimental approach. Dalton Transactions 52 , pp. 12677-12685. 10.1039/d3dt02187d
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Lahiri, Abhishek, Guan, Shaoliang and Chutia, Arunabhiram 2023. Modulating aluminum solvation with ionic liquids for improved aqueous-based aluminum-ion batteries. ACS Applied Energy Materials 6 (23) , pp. 11874-11881. 10.1021/acsaem.3c01745
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Lander, Alexander J., Mercado, Laura Domínguez, Li, Xuefei, Taily, Irshad Maajid, Findlay, Brandon L., Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2023. Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Communications Chemistry 6 (1) , 154. 10.1038/s42004-023-00953-y
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Lawes, Naomi 2023. Pd-based alloys as catalysts for the conversion of carbon dioxide to renewable fuels. PhD Thesis, Cardiff University.
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Lazaridou, Anna 2023. Acetylene hydrochlorination using Au supported on activated carbon catalysts. PhD Thesis, Cardiff University.
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Lazaridou, Anna, Smith, Louise R., Pattisson, Samuel, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Smit, Joost J., Johnston, Peter and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Recognizing the best catalyst for a reaction. Nature Reviews Chemistry 10.1038/s41570-023-00470-5
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Leiszner, Sofie Stampe, Chakarawet, Khetpakorn, Long, Jeffrey R., Nishibori, Eiji, Sugimoto, Kunihisa, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Overgaard, Jacob 2023. Electron density analysis of metal-metal bonding in a Ni4 cluster featuring ferromagnetic exchange. Inorganic Chemistry 62 (1) , pp. 192-200. 10.1021/acs.inorgchem.2c03170
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Lewis, Richard J., Ueura, Kenji, Liu, Xi, Fukuta, Yukimasa, Qin, Tian, Davies, Thomas, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Stenner, Alex, Singleton, James, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Freakley, Simon J., Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Chen, Liwei, Yamamoto, Yasushi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Selective Ammoximation of Ketones via In Situ H2O2 Synthesis. ACS Catalysis 13 , pp. 1934-1945. 10.1021/acscatal.2c05799
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Li, Wenbo, Girt, Georgina C., Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755, Stewart, James J. P., Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 and Naismith, James H. 2023. Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase. Open Biology 13 (1) , 220287. 10.1098/rsob.220287
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Li, Xin, Rui, Peng, Ye, Tongqi, Yao, Xin, Zhou, Rulong, Li, Dongdong, Wang, Sheng, Carter, James H. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Hydrogenolysis of 5-hydroxymethylfurfural by in situ produced hydrogen from water on an iron catalyst. Catalysis Science & Technology 13 (11) , pp. 3366-3374. 10.1039/D3CY00027C
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Liang, Yu, Douthwaite, Mark, Huang, Xiaoyang, Zhao, Binbin, Tang, Qiong, Liu, Lei and Dong, Jinxiang 2023. Zero-oxidation state precursor assisted fabrication of highly dispersed and stable Pt catalyst for chemoselective hydrogenation of α,β--unsaturated aldehydes. Nano Research 16 , pp. 6085-6093. 10.1007/s12274-022-4822-4
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Lin, Jinxiong, Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Weber, Manuela and Müller, Christian 2023. Phosphinine selenide: noncovalent interactions with organoiodines and elemental iodine, and reactivity towards potassium cyanide. ChemPlusChem 88 (4) , e202300088. 10.1002/cplu.202300088

Lin, Jinxiong, Frost, Daniel S., Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Weber, Manuela and Müller, Christian 2023. Copper(I) and gold(I) complexes of aminofunctionalized phosphinines: synthesis and structural characterization. Zeitschrift für anorganische und allgemeine Chemie 649 (6-7) , e202200365. 10.1002/zaac.202200365
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Lin, Runjia, Kang, Liqun, Lisowska, Karolina, He, Weiying, Zhao, Siyu, Hayama, Shusaku, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Brett, Dan J. L., Corà, Furio, Parkin, Ivan P. and He, Guanjie 2023. Approaching theoretical performances of electrocatalytic hydrogen peroxide generation by cobalt‐nitrogen moieties. Angewandte Chemie International Edition 62 (21) , e202301433. 10.1002/anie.202301433
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Liu, Han‐Ying, Neale, Samuel E., Hill, Michael S., Mahon, Mary F., McMullin, Claire L. and Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 2023. Reduction of Na+ within a {Mg2Na2} assembly. Angewandte Chemie International Edition 62 (3) , e202213670. 10.1002/anie.202213670
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Lombard, C. J., van Sittert, C. G. C. E., Mugo, J. N., Perry, C. and Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 2023. Computational investigation of α-SiO 2 surfaces as a support for Pd †. Physical Chemistry Chemical Physics 10.1039/d2cp04722e
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Lu, You, Sen, Kakali, Yong, Chin, Gunn, David S. D., Purton, John A., Guan, Jingcheng, Desmoutier, Alec, Abdul Nasir, Jamal, Zhang, Xingfan, Zhu, Lei, Hou, Qing, Jackson-Masters, Joe, Watts, Sam, Hanson, Rowan, Thomas, Harry N., Jayawardena, Omal, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Woodley, Scott M., Senn, Hans M., Sherwood, Paul, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Sokol, Alexey A. and Keal, Thomas W. 2023. Multiscale QM/MM modelling of catalytic systems with ChemShell †. Physical Chemistry Chemical Physics 10.1039/d3cp00648d
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Ma, Muge 2023. Investigations of protein ligase for biochemical modification. PhD Thesis, Cardiff University.
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Ma, Muge, Tang, Simon T.M., Dickerson, Matthew T. and Luk, Louis Y.P. ORCID: https://orcid.org/0000-0002-7864-6261 2023. Preparing recombinant “Split AEP” for protein labeling. Lloyd, Matthew, ed. Methods in Enzymology, Vol. 690. Methods in Enzymology, Elsevier, pp. 501-540. (10.1016/bs.mie.2023.07.004)

MacAulay, Scott, Masud, Numair, Davies-Jones, Josh, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 and Cable, Jo ORCID: https://orcid.org/0000-0002-8510-7055 2023. The impacts of synthetic and cellulose-based fibres and their associated dyes on fish hosts and parasite health. Environmental Science and Pollution Research 10.1007/s11356-023-30794-0
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Magri, Giuseppina 2023. Development of a dual-mode microwave-EPR cavity for studies of paramagnetic systems. PhD Thesis, Cardiff University.
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Magri, Giuseppina, Barter, Michael ORCID: https://orcid.org/0000-0002-4404-9397, Fletcher-Charles, Jack, Choi, Heungjae ORCID: https://orcid.org/0000-0003-1108-293X, Slocombe, Daniel ORCID: https://orcid.org/0000-0003-3590-6075, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 2023. An in-situ study of the thermal decomposition of 2,2'-azobis(2-methylpropionitrile) radical chemistry using a dual-mode EPR resonator. Research on Chemical Intermediates 49 , pp. 289-305. 10.1007/s11164-022-04861-z
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Major, George H., Pinder, Joshua W., Austin, Daniel E., Baer, Donald R., Castle, Steven L., Cechal, Jan, Clark, B. Maxwell, Cohen, Hagai, Counsell, Jonathan, Herrera-Gomez, Alberto, Govindan, Pavitra, Kim, Seong H., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Opila, Robert L., Powell, Cedric J., Průša, Stanislav, Roberts, Adam, Rocca, Mario, Shirahata, Naoto, Šikola, Tomás, Smith, Emily F., So, Regina C., Stovall, John E., Strunk, Jennifer, Teplyakov, Andrew, Terry, Jeff, Weber, Stephen G. and Linford, Matthew R. 2023. Perspective on improving the quality of surface and material data analysis in the scientific literature with a focus on x-ray photoelectron spectroscopy (XPS). Journal of Vacuum Science and Technology A 41 (3) , 038501. 10.1116/6.0002437
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Maliutina, Kristina Mikhailovna, Omoriyekomwan, Joy Esohe, He, Chuanxin, Fan, Liangdong and Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 2023. Biomass-derived carbon nanostructures and their applications as electrocatalysts for hydrogen evolution and oxygen reduction/evolution. Frontiers in Environmental Engineering 2 , 1228992. 10.3389/fenve.2023.1228992
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Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Arts, Karsten, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Chen, Zhuohui and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 2023. Zeta potential and nanodiamond self assembly assisted diamond growth on lithium niobate and lithium tantalate single crystal. Carbon 212 , 118160. 10.1016/j.carbon.2023.118160
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Marsden, Alexander J., Skilbeck, Mark, Healey, Matthew, Thomas, Helen R., Walker, Marc, Edwards, Rachel S., Garcia, Natalya A., Vukovic, Filip, Jabraoui, Hicham, Walsh, Tiffany R., Rourke, Jonathan P. ORCID: https://orcid.org/0000-0002-8961-1021 and Wilson, Neil R. 2023. From graphene to graphene oxide: the importance of extended topological defects. Physical Chemistry Chemical Physics 24 (4) , pp. 2318-2331. 10.1039/D1CP04316A
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Matam, Santhosh K., O'Malley, Alexander J., Silverwood, Ian and Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541 2023. Dynamics and reactivity of methanol in zeolite H-ZSM-5. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 219-254. (10.1142/9781800612013_0006)

Matam, Santhosh K., Silverwood, Ian P., Boudjema, Lotfi, O'Malley, Alexander J. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2023. Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20220335. 10.1098/rsta.2022.0335
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Matuszewska, Oliwia, Battisti, Tommaso, Ferreira, Ruben R., Biot, Nicolas, Demitri, Nicola, Mézière, Cécile, Allain, Magali, Sallé, Marc, Mañas‐Valero, Samuel, Coronado, Eugenio, Fresta, Elisa, Costa, Rubén D. and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2023. Tweaking the optoelectronic properties of s‐doped polycyclic aromatic hydrocarbons by chemical oxidation. Chemistry - A European Journal , e202203115. 10.1002/chem.202203115
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Mayer, Alexander J., Beynon, Owain T. ORCID: https://orcid.org/0000-0003-3165-4472, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Wijayantha, K. G. Upul, Dann, Sandra E., Marco, José F., Elliott, Joshua D., Aramini, Matteo, Cibin, Giannantonio and Kondrat, Simon A. 2023. Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy †. Journal of Materials Chemistry A: materials for energy and sustainability 11 , pp. 19900-19913. 10.1039/d3ta02631k
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Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Pramanik, Milan 2023. Activation of Diazo Compounds by Fluorinated Triarylborane Catalysts. Synthesis: Journal of Synthetic Organic Chemistry 10.1055/a-2118-3046
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Mensah, Mary, Tia, Richard, Adei, Evans and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2023. C-H versus C-O Addition: A DFT study of the catalytic cleavage of the β-O-4 ether linkage in lignin by iridium and cobalt pincer complexes. Catalysts 13 (4) , 757. 10.3390/catal13040757
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Minova, Ivalina B., Matam, Santhosh K., Frogley, Mark D., Cinque, Gianfelice, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Wright, Paul A. and Howe, Russell F. 2023. Chapter 11: Insights into methanol-to-hydrocarbon catalysis over ZSM-5 and SAPO-34 from operando synchrotron infrared microspectroscopy. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 423-460. (10.1142/9781800612013_0011)

Mohamed-Ezzat, Reham A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Elgemeie, Galal H. 2023. Unexpected products of the reaction of cyanoacetylhydrazones of aryl/heteryl ketones with hydrazine: a new route to aryl/heteryl hydrazones, x-ray structure, and in vitro anti-proliferative activity against nci 60-cell line panel. Egyptian Journal of Chemistry 66 (13) , pp. 225-239. 10.21608/ejchem.2023.197330.7682
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Mohamed-Ezzat, Reham A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Srour, Aladdin M. 2023. Synthesis, crystal structure and in vitro anti-proliferative activity of 2-[(4-acetylphenyl)carbamoyl]phenyl acetate. Acta Crystallographica Section E: Crystallographic Communications 79 (11) , pp. 999-1002. 10.1107/S2056989023008526
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Mohamed-Ezzat, Reham A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Azzam, Rasha A. 2023. Synthesis and crystal structure of N-(5-acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide. Acta Crystallographica Section E: Crystallographic Communications 79 (4) , pp. 331-334. 10.1107/S2056989023001871
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Mohan, Talla V.R., Nallagangula, Madhu, Kala, Krishnan, Hernandez-Tamargo, Carlos E., De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Namitharan, Kayambu, Bhat, Venugopal T., Sasidharan, Manickam and Selvam, Parasuraman 2023. Pyridinic-nitrogen on ordered mesoporous carbon: A versatile NAD(P)H mimic for borrowing-hydrogen reactions. Journal of Catalysis 419 , pp. 80-98. 10.1016/j.jcat.2023.02.005

Mondal, Prasenjit, Singh, Pritam, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Bose, Adity and Sen, Kamalika 2023. Ni-sinapic acid nanocomposite in the selective sensing of permanganate ions. Journal of Photochemistry and Photobiology A: Chemistry 437 , 114458. 10.1016/j.jphotochem.2022.114458
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. A sample holder for the X‐ray photoelectron spectroscopy analysis of multiple mini‐traction machine ball samples. Surface and Interface Analysis 10.1002/sia.7214
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. XPS insights: Asymmetric peak shapes in XPS. Surface and Interface Analysis 10.1002/sia.7215
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. XPS insights: Sample degradation in X-ray photoelectron spectroscopy. Surface and Interface Analysis 55 (5) , pp. 331-335. 10.1002/sia.7205
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. XPS analysis of electrically insulating catalytic materials. Zafeiratos, Spyridon, ed. Applications of X-ray Photoelectron Spectroscopy to Catalytic Studies: From Routine Analysis to Cutting-Edge Surface Characterization, Catalytic Science Series: Volume 21, World Scientific, pp. 97-120. (10.1142/9781800613294_0005)

Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. Photoelectron spectroscopy of ceria: Reduction, quantification and the myth of the vacancy peak in XPS analysis. Surface and Interface Analysis 55 (11) , pp. 845-850. 10.1002/sia.7254
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2023. Core-level spectra of metallic lanthanides: Dysprosium (Dy). Surface Science Spectra 30 (2) , 024017. 10.1116/6.0002917
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Uthayasekaran, Sharukaa 2023. Revisiting degradation in the XPS analysis of polymers. Surface and Interface Analysis 55 (6-7) , pp. 556-563. 10.1002/sia.7151
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Morris, Joshua J., Nevin, Adam, Cornelio, Joel and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2023. Characterization of an unanticipated indium-sulfur metallocycle complex. Royal Society Open Science 10 (9) , 230060. 10.1098/rsos.230060
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Morteo‐Flores, Fabian, Quayle, Max, Salom-Catala, Antoni, Pera Titus, Marc and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2023. First‐principles microkinetic study of the catalytic hydrodeoxygenation of guaiacol on transition metal surfaces. ChemCatChem 15 (24) , e202300671. 10.1002/cctc.202300671
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Mousa, Ibtisam 2023. Applications of rare earth complexes in the ring-opening copolymerisation of epoxides and anhydrides. PhD Thesis, Cardiff University.
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Murtaza, Ayesha, Ulhaq, Zia, Shirinfar, Bahareh, Rani, Sadia, Aslam, Samina, Martins, Guilherme M. and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2023. Arenes and heteroarenes C-H functionalization under enabling conditions: electrochemistry, photoelectrochemistry & flow technology. Chemical Record 23 (10) , e202300119. 10.1002/tcr.202300119
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Musa, Arafa, Ihmaid, Saleh K., Hughes, David L., Said, Musa A., Abulkhair, Hamada S., El-Ghorab, Ahmed H., Abdelgawad, Mohamed A., Shalaby, Khaled, Shaker, Mohamed E., Alharbi, Khalid Saad, Alotaibi, Nasser Hadal, Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001, Taylor, Laurence J., Parambi, Della Grace Thomas, Alzarea, Sami I., Al-Karmalawy, Ahmed A., Ahmed, Hany E. A. and El-Agrody, Ahmed M. 2023. The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations. Journal of Biomolecular Structure and Dynamics 41 (21) , pp. 12411-12425. 10.1080/07391102.2023.2167000

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Ni, Fenglou, Richards, Thomas, Smith, Louise, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, Lewis, Richard J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2023. Selective oxidation of methane to methanol via in situ H2O2 synthesis. ACS Organic & Inorganic Au 3 (4) , pp. 177-183. 10.1021/acsorginorgau.3c00001
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Noreen, Sobia, Ehsan, Shazma, Ghumman, Shazia Akram, Hasan, Sara, Batool, Fozia, Ijaz, Bushra, Shirinfar, Bahareh, Alsader, Khadeeja Ali Mohammed and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2023. Polymeric complex nanocarriers of Mangifera indica gum & chitosan for methotrexate delivery: Formulation, characterization, and in vitro toxicological assessment. Journal of Drug Delivery Science and Technology 88 , 105001. 10.1016/j.jddst.2023.105001
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Noureen, Shazia, Noreen, Sobia, Ghumman, Shazia Akram, Abdelrahman, Ehab A., Batool, Fozia, Aslam, Afeefa, Mehdi, Muhammad, Shirinfar, Bahareh and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2023. A novel pH-responsive hydrogel system based on Prunus armeniaca gum and acrylic acid: Preparation and evaluation as a potential candidate for controlled drug delivery. European Journal of Pharmaceutical Sciences 189 , 106555. 10.1016/j.ejps.2023.106555
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Otaif, Haleema 2023. Time resolved spectroscopy of 21st century materials. PhD Thesis, Cardiff University.
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Ou, Yucheng, Zhai, Liangyu, Zhu, Gangqiang, Zhang, Weibin, Huang, Xiaoyang, Akdim, Ouardia, Zhu, Lujun, Nie, Junli, Rao, Fei, Huang, Yu, Shi, Xianjin, Gao, Jianzhi, Lu, Hongbin and Hojamberdiev, Mirabbos 2023. Achieving molecular-level selective detection of volatile organic compounds through a strong coupling effect of ultrathin nanosheets and Au nanoparticles. ACS Sensors 9 (1) , 139–148. 10.1021/acssensors.3c01777
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Ou, Xiaoxia, Dlamini, Mbongiseni W., Tomatis, Marco, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Hardacre, Christopher 2023. Catalytic treatment of high ionic strength wastewater from shale gas production. Modern Developments in Catalysis, Vol. 2. World Scientific Publishing Europe Ltd., pp. 1-52. (10.1142/9781800612013_0001)

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Pitchers, Jack 2023. Novel iron molybdate catalysts for the oxidative dehydrogenation of methanol and propane. PhD Thesis, Cardiff University.
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Pople, Huw 2023. Chemical and biological tools for nvestigating the catalytic mechanism of 7-epizingiberene synthase. PhD Thesis, Cardiff University.
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Pramanik, Milan and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2023. Metal-free routes from carbon monoxide to ketenes. Chem 9 (2) 10.1016/j.chempr.2023.01.014
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Pramanik, Milan and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2023. Frustrated radical pairs in selective functionalization of inert aliphatic C-H bonds. Chem 9 (8) , pp. 2060-2062. 10.1016/j.chempr.2023.07.012
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Qiu, Chengwu, Odarchenko, Yaroslav, Lezcano-Gonzalez, Ines, Meng, Qingwei, Slater, Tom ORCID: https://orcid.org/0000-0003-0372-1551, Xu, Shaojun and Beale, Andrew M. 2023. Visualising Co nanoparticle aggregation and encapsulation in Co/TiO2 catalysts and its mitigation through surfactant residues. Journal of Catalysis 419 , pp. 58-67. 10.1016/j.jcat.2023.02.002
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Reed, Benjamen P., Marchesini, Sofia, Chemello, Giovanni, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Vyas, Neil, Howe, Thomas, Radnik, Jörg, Clifford, Charles A. and Pollard, Andrew J. 2023. The influence of sample preparation on XPS quantification of oxygen-functionalised graphene nanoplatelets. Carbon 211 , p. 118054. 10.1016/j.carbon.2023.118054
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Rezayi, Seyedeh Fardokht 2023. An advanced EPR investigation of copper complexes in catalysis. PhD Thesis, Cardiff University.
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Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2023. Carbenium catalysis toward β-carbolines. Chem Catalysis 3 (2) , 100511. 10.1016/j.checat.2023.100511
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Richards Gonzales, Andres 2023. Ethanol upgrading catalysis for advanced biofuels. PhD Thesis, Cardiff University.
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Savva, Loizos 2023. Computational examination of biomolecular systems related to Alzheimer’s and Parkinson’s diseases. PhD Thesis, Cardiff University.
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Savva, Loizos and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2023. Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein. Journal of Biomolecular Structure and Dynamics 41 (11) , pp. 5230-5245. 10.1080/07391102.2022.2082534
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Savva, Loizos and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2023. Exploring the impact of mutation and post-translational modification on α-Synuclein: Insights from molecular dynamics simulations with and without copper. Journal of Inorganic Biochemistry 249 , 112395. 10.1016/j.jinorgbio.2023.112395
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Savva, Loizos and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2023. How Cu(II) binding affects structure and dynamics of α-synuclein revealed by molecular dynamics simulations. Journal of Inorganic Biochemistry 239 , 112068. 10.1016/j.jinorgbio.2022.112068
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Barnes, Alexandra, Lewis, Richard J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Improving catalytic activity towards the direct synthesis of H2O2 through Cu incorporation into AuPd catalysts. Catalysts 12 (11) , 1396. 10.3390/catal12111396
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Barter, Michael ORCID: https://orcid.org/0000-0002-4404-9397, Magri, Giuseppina, Harari, Jaafar, Choi, Heungjae ORCID: https://orcid.org/0000-0003-1108-293X, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Slocombe, Daniel R. ORCID: https://orcid.org/0000-0003-3590-6075, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 and Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 2022. Design considerations of a dual mode X-band EPR resonator for rapid in-situ microwave heating. Applied Magnetic Resonance 53 , pp. 861-874. 10.1007/s00723-022-01463-1
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Bates, Samuel 2022. Developments in sustainable C-C bond forming reactions. PhD Thesis, Cardiff University.
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Bell, Cameron G., Treder, Kevin P., Kim, Judy S., Schuster, Manfred E., Kirkland, Angus I. and Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551 2022. Trainable segmentation for transmission electron microscope images of inorganic nanoparticles. Journal of Microscopy 288 (3) , pp. 169-184. 10.1111/jmi.13110
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Benton, Jennifer 2022. Chemoenzymatic applications and catalytic mechanism of 7-epi-zingiberene synthase. PhD Thesis, Cardiff University.
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Bere, Takudzwa 2022. Designing novel amorphous catalysts for the propane dehydrogenation reaction. PhD Thesis, Cardiff University.
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Beynon, Owain 2022. Astudiaeth Gyfrifiadurol o Synthesis a Sefydlogrwydd Defnyddiau Mandyllog Anorganig. PhD Thesis, Prifysgol Caerdydd.
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Bijani, Sabera, Shaikh, Faraz, Mirza, Sheefa, Weng In Siu, Shirley, Jain, Nayan, Rawal, Rakesh, Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881, Shah, Anamik and Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755 2022. Novel dihydropyrimidinone derivatives as potential P-glycoprotein modulators. ACS Omega 7 (19) , pp. 16278-16287. 10.1021/acsomega.1c05839
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Blackaby, William J. M., Harriman, Katie L. M., Greer, Samuel M., Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Hill, Stephen, Krewald, Vera, Mahon, Mary F., Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, Murugesu, Muralee, Richards, Emma, Suturina, Elizaveta and Whittlesey, Michael K. 2022. Extreme g-Tensor anisotropy and its insensitivity to structural distortions in a family of linear two-coordinate Ni(I) Bis-N-heterocyclic carbene complexes. Inorganic Chemistry 61 (3) , pp. 1308-1315. 10.1021/acs.inorgchem.1c02413
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Bolt, Robert R. A., Leitch, Jamie A., Jones, Andrew C., Nicholson, William I. and Browne, Duncan L. 2022. Continuous flow mechanochemistry: reactive extrusion as an enabling technology in organic synthesis. Chemical Society Reviews 51 (11) , pp. 4243-4260. 10.1039/D1CS00657F
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Bonello, R. Owen, Pitak, Mateusz B., Tizzard, Graham J., Coles, Simon J., Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 2022. Aryl, bi-functionalised imidazo[4,5-f]-1,10-phenanthroline ligands and their luminescent rhenium(I) complexes. Polyhedron 228 , 116179. 10.1016/j.poly.2022.116179
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Lawes, Naomi, Gow, Isla, Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Smith, Louise R., Slater, Thomas J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Davies, Thomas E., Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Kabalan, Lara, Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X, Catlow, Richard C. ORCID: https://orcid.org/0000-0002-1341-1541, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol. ACS Catalysis 12 (9) , pp. 5371-5379. 10.1021/acscatal.2c00552
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, DeBeer, Serena, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Scheffler, Matthias, Schüth, Ferdi, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Tüysüz, Harun 2022. Advancing critical chemical processes for a sustainable future: challenges for industry and the Max Planck-Cardiff centre on the fundamentals of heterogeneous catalysis (funcat). Angewandte Chemie International Edition 10.1002/anie.202209016
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Holroyd, Richard and Perkins, Neil 2022. The catalytic reactivity of alloys; ethanol and formic acid decomposition on Cu-Pd(110). Journal of Physical Chemistry C 126 (37) , pp. 15703-15709. 10.1021/acs.jpcc.2c04881
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, O'Rourke, Christopher and Mills, Andrew 2022. The role of metal nanoparticles in promoting photocatalysis by TiO2. Topics in Current Chemistry 380 (3) , 17. 10.1007/s41061-022-00373-x
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Bramley, Gabriel A., Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 2022. Understanding adsorption of organics on pt(111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models. Journal of Chemical Theory and Computation 18 (3) , pp. 1849-1861. 10.1021/acs.jctc.1c00894

Branfoot, Callum, Pringle, Paul G., Pridmore, Natalie E., Young, Tom A. and Wass, Duncan F. ORCID: https://orcid.org/0000-0002-0356-7067 2022. Heterometathesis of diphosphanes (R2P–PR2) with dichalcogenides (R′E–ER′, E = O, S, Se, Te). Dalton Transactions 51 (22) , pp. 8906-8913. 10.1039/D2DT01093C
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Brehm, Joseph, Lewis, Richard J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. The direct synthesis of hydrogen peroxide over AuPd nanoparticles: an investigation into metal loading. Catalysis Letters 152 , pp. 254-262. 10.1007/s10562-021-03632-6
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Brehm, Joseph, Lewis, Richard J., Richards, Thomas, Qin, Tian, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Chen, Liwei, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Enhancing the Chemo-Enzymatic One-Pot Oxidation of Cyclohexane via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 12 (19) , 11776–11789. 10.1021/acscatal.2c03051
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Bryce, Richard A. and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2022. From the archives: the origins of a society and a journal for the field of molecular graphics and modelling. Journal of Molecular Graphics and Modelling 117 , 108308. 10.1016/j.jmgm.2022.108308
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Campisi, Sebastiano, Motta, Davide, Barlocco, Ilaria, Stones, Rebecca, Chamberlain, Thomas W., Chutia, Arunabhiram, Dimitratos, Nikolaos and Villa, Alberto 2022. Furfural adsorption and hydrogenation at the oxide-metal interface: evidence of the support influence on the selectivity of iridium-based catalysts. ChemCatChem 14 (6) , e202101700. 10.1002/cctc.202101700

Cardella, Davide 2022. Chemical synthesis of peptides and their biological applications as mitochondria-targeting chemotherapeutics. PhD Thesis, Cardiff University.
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Cardella, Davide, Deng, Wenjing, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 2022. Effect of trimethine cyanine dye- and folate-conjugation on the in vitro biological activity of proapoptotic peptides. Biomolecules 12 (5) , 725. 10.3390/biom12050725
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Carter, James H., Abdel-Mageed, Ali M., Zhou, Dan, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Liu, Xi, Bansmann, Joachim, Chen, Shilong, Behm, R. Jürgen and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Reversible growth of gold nanoparticles in the low-temperature water-gas shift reaction. ACS Nano 16 , pp. 15197-15205. 10.1021/acsnano.2c06504
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Cerasale, Daniel J., Ward, Dominic C. and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2022. MOFs in the time domain. Nature Reviews Chemistry 6 , pp. 9-30. 10.1038/s41570-021-00336-8
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Chang, Zhou, Ren, Wenqing, Wang, Yucheng, Zhang, Jiawei, Liu, Xiaoteng and Xu, Chenxi 2022. A highly co-tolerant anode pt/ti3c2tx-cnt hybrid catalysts for pemfc. Electrocatalysis 14 , pp. 1-8. 10.1007/s12678-022-00768-w
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Chaudhuri, Shayantan, Hall, Samuel J., Klein, Benedikt P., Walker, Marc, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Macpherson, Julie V. and Maurer, Reinhard J. 2022. Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces. Communications Materials 3 (1) , 6. 10.1038/s43246-022-00228-4
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Chávez-Sifontes, Marvin, García, Adrián, Sanchis, Rut, Furgeaud, Clarisse, Mayoral, Alvaro, Arenal, Raul, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, López, Jose Manuel, García, Tomás and Solsona, Benjamín 2022. The promoter effect of Nb species on the catalytic performance of Ir-based catalysts for VOCs total oxidation. Journal of Environmental Chemical Engineering 10 (5) , 108261. 10.1016/j.jece.2022.108261
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Chen, Bao, Li, Xin, Rui, Peng, Ye, Yuewen, Ye, Tongqi, Zhou, Rulong, Li, Dongdong, Carter, James H. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. The reaction pathways of 5-hydroxymethylfurfural conversion in a continuous flow reactor using copper catalysts. Catalysis Science & Technology 12 (9) , pp. 3016-3027. 10.1039/D1CY02197D
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Cheruiyot, Duncan, Chidawanyika, Frank, Midega, Charles A. O., Pittchar, Jimmy O., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Khan, Zeyaur R. 2022. Field evaluation of a new third generation push-pull technology for control of striga weed, stemborers, and fall armyworm in western Kenya. Experimental Agriculture 57 (5-6) , pp. 301-315. 10.1017/S0014479721000260
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Chong, Magdalene W. S., Argent, Stephen P., Moreau, Florian, Trenholme, William J. F., Morris, Christopher G., Lewis, William, Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 and Schröder, Martin 2022. A coordination network featuring two distinct copper(II) coordination environments for highly selective acetylene adsorption. Chemistry - A European Journal 28 (52) , e202201188. 10.1002/chem.202201188
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Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Groth, Lucie J., Dettling, Lea, Frost, Daniel S., Rigo, Massimo, Neale, Samuel E. and Müller, Christian 2022. Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles. Chemical Communications 58 (98) , pp. 13580-13583. 10.1039/D2CC05178H
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Cooper, Anna, Golunski, Stan ORCID: https://orcid.org/0000-0001-7980-8624 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2022. The effect of potassium inclusion in a silver catalyst for N2O-mediated oxidation of soot in oxidising exhaust gases. Catalysts 12 (7) , 753. 10.3390/catal12070753
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Costa, Dora C. S., da S. M. Forezi, Luana, Lessa, Milena D., Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Matuck, Beatriz V. A., Freitas, Maria Clara R., Ferreira, Vitor F., de C. Resende, Jackson A. L., de M. Carneiro, José Walkimar and de C. da Silva, Fernando 2022. A stereoselective, base-free, palladium-catalyzed heck coupling between 3-halo-1,4-naphthoquinones and vinyl-1H-1,2,3-triazoles. ChemistrySelect 7 (24) , e202201334. 10.1002/slct.202201334
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Coulson, Ben A. and Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 2022. Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]. CrystEngComm 24 (20) , pp. 3701-3714. 10.1039/D2CE00213B
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Craco, Luis and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2022. Orbital selectivity in the normal state of KFe(2)Se(2) superconductor. European Physical Society Letters 136 (2) , 27002. 10.1209/0295-5075/ac3f16
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Craco, L., de Arruda, A. S. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2022. Emergent normal-state Mottness in the infinite-layer NdNiO 2 superconductor. Physical Review Research 4 (4) , 043036. 10.1103/PhysRevResearch.4.043036
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Crawley, James W. M., Gow, Isla E., Lawes, Naomi, Kowalec, Igor, Kabalan, Lara, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Heterogeneous trimetallic nanoparticles as catalysts. Chemical Reviews 122 (6) , pp. 6795-6849. 10.1021/acs.chemrev.1c00493
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Dambatta, Mubarak 2022. Exploring the borrowing hydrogen methodology using earth abundant metals. PhD Thesis, Cardiff University.
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Daniel, Isaac T., Zhao, Liang, Bethell, Donald, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Akdim, Ouardia, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, McIntosh, Steven and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Kinetic analysis to describe co-operative redox enhancement effects exhibited by bimetallic Au-Pd systems in aerobic oxidation. Catalysis Science & Technology 10.1039/D2CY01474B
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Dasgupta, Ayan, Guerzoni, Michael G., Alotaibi, Nusaybah, van Ingen, Yara, Farshadfar, Kaveh, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2022. Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids. Catalysis Science & Technology 12 (19) , pp. 5982-5990. 10.1039/D2CY01441F
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Dasgupta, Ayan, Pahar, Sanjukta, Babaahmadi, Rasool, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2022. Borane catalyzed selective diazo cross-coupling towards pyrazoles. Advanced Synthesis & Catalysis 364 (4) , pp. 773-780. 10.1002/adsc.202101312
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Dasgupta, Ayan, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2022. Triarylborane catalyzed carbene transfer reactions using diazo precursors. ACS Catalysis 12 , pp. 442-452. 10.1021/acscatal.1c04746
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Dasgupta, Ayan, van Ingen, Yara, Guerzoni, Michael G., Farshadfar, Kaveh, Rawson, Jeremy M., Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2022. Lewis acid assisted Brønsted acid catalysed decarbonylation of Isocyanates: a combined DFT and experimental study. Chemistry - A European Journal 28 (45) , e202201422. 10.1002/chem.202201422
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Dashti Najafi, Mohammad, Kowsari, Elaheh, Neekzad, Nariman, Ramakrishna, Seeram, Sarabadani Tafreshi, Saeedeh, Chinnappan, Amutha, Reza Naderi, Hamid and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2022. TMP/Pd complex immobilized on graphene oxide for efficient pseudocapacitive energy storage with combined experimental and DFT study. Journal of Molecular Liquids 364 , 120008. 10.1016/j.molliq.2022.120008

Dashti Najafi, Mohammad, Kowsari, Elaheh, Reza Naderi, Hamid, Sarabadani Tafreshi, Saeedeh, Chinnappan, Amutha, Ramakrishna, Seeram, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Ehsani, Ali 2022. High-performance symmetric supercapacitor based on new functionalized graphene oxide composites with pyrimidine nucleotide and nucleoside. Journal of Molecular Liquids 348 , 118381. 10.1016/j.molliq.2021.118381

Davies, Thomas E., Li, He, Bessette, Stéphanie, Gauvin, Raynald, Patience, Gregory S. and Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304 2022. Experimental methods in chemical engineering: Scanning electron microscopy and X-ray ultra-microscopy—SEM and XuM. Canadian Journal of Chemical Engineering 100 (11) , pp. 3145-3159. 10.1002/cjce.24405
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Davies-Smith, Chay A., Steer, Julian M. ORCID: https://orcid.org/0000-0002-3003-4768, Marsh, Richard ORCID: https://orcid.org/0000-0003-2110-5744 and Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 2022. A study of the volatilisation of coal sulphur during combustion under conditions similar to a blast furnace raceway. Fuel 330 , 125552. 10.1016/j.fuel.2022.125552
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Davies, Philip R. Rosser ORCID: https://orcid.org/0000-0003-4394-766X and Davies-Jones, Josh 2022. Photo induced Force Microscopy: chemical spectroscopy beyond the diffraction limit. Materials Chemistry Frontiers 6 (12) , pp. 1552-1573. 10.1039/D2QM00040G
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Dedovets, Dmytro, Li, Qingyuan, Leclercq, Loïc, Nardello-Rataj, Veronique, Leng, Jacques, Zhao, Shuangliang and Pera-Titus, Marc 2022. Multiphase microreactors based on liquid-liquid and gas-liquid dispersions stabilized by colloidal catalytic particles. Angewandte Chemie International Edition 61 (4) , e202107537. 10.1002/anie.202107537
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Dedovets, Dmytro, Zhang, Shi, Leng, Jacques and Pera Titus, Marc 2022. Microfluidic device for monitoring catalytic events on armored bubbles. Advanced Materials Interfaces 9 (23) , 2200759. 10.1002/admi.202200759
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Del Vecchio, Antonio, Smallman, Harry R., Morvan, Jennifer, McBride, Tom, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Mauduit, Marc 2022. Challenges arising from continuous-flow olefin metathesis. Angewandte Chemie International Edition 61 (47) , e202209564. 10.1002/anie.202209564

Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Carneiro, José Walkimar de M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Bühl, Michael 2022. Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds. Catalysis Communications 162 , 106385. 10.1016/j.catcom.2021.106385
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Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X and Catlow, C. Richard A. 2022. Cation-doping strategies for tuning of zirconia acid?base properties. Royal Society Open Science 9 (2) , 211423. 10.1098/rsos.211423
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Deyerling, Joel, Pörtner, Mathias, Dordevic, Luka, Riss, Alexander, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 and Auwärter, Willi 2022. On-surface synthesis of rigid benzenoid- and nonbenzenoid-coupled porphyrin–graphene nanoribbon hybrids. Journal of Physical Chemistry C 126 (19) , 8467–8476. 10.1021/acs.jpcc.2c00912

Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Oubaha, Hamid, Fasano, Francesco, Melinte, Sorin, Gohy, Jean-François, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Demitri, Nicola, Abrami, Michela, Grassi, Mario and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2022. Boron nitride-doped polyphenylenic organogels. Chemistry of Materials 34 (23) , pp. 10670-10680. 10.1021/acs.chemmater.2c01766
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Douthwaite, Mark, Zhang, Bin, Iqbal, Sarwat, Miedziak, Peter J., Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Transfer hydrogenation of methyl levulinate with methanol to gamma valerolactone over Cu-ZrO2: A sustainable approach to liquid fuels. Catalysis Communications 164 , 106430. 10.1016/j.catcom.2022.106430
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Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Sodiq-Ajala, Zeenat, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Davies, Thomas E. 2022. Investigating the preparation of Cu3Mo2O9 as a photocatalyst. Catalysis Communications 163 , 106414. 10.1016/j.catcom.2022.106414
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Dwivedi, Bhavna, Mishra, Pawan K. ORCID: https://orcid.org/0000-0003-1141-3487 and Mishra, Vivek 2022. Chiral metal-organic frameworks for asymmetrical catalysis. Gulati, Shikha, ed. Metal-Organic Frameworks (MOFs) as Catalysts, Singapore: Springer, 493–513. (10.1007/978-981-16-7959-9_19)

Eaimsumang, Srisin, Chollacoop, Nuwong, Luengnaruemitchai, Apanee and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2022. Relationship between hydrothermal temperatures and structural properties of CeO2 and enhanced catalytic activity of propene/toluene/CO oxidation by Au/CeO2 catalysts. Frontiers in Chemistry 10 , 959152. 10.3389/fchem.2022.959152
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Edwards, Deborah ORCID: https://orcid.org/0000-0003-1885-9297, Csontos, Judit ORCID: https://orcid.org/0000-0003-4597-3052, Pascoe, Michael ORCID: https://orcid.org/0000-0002-7794-8970, Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236, Gillen, Elizabeth ORCID: https://orcid.org/0000-0002-3700-3913, Bennett, Clare ORCID: https://orcid.org/0000-0002-5144-3894, Hannigan, Mark ORCID: https://orcid.org/0000-0002-2512-6721, Carrier, Judith ORCID: https://orcid.org/0000-0002-2657-2280 and Harden, Jane ORCID: https://orcid.org/0000-0001-8158-6450 2022. A rapid scoping review of harm reduction strategies for ecstasy (MDMA) users in recreational settings. [Online]. Research Square: Research Square. Available at: https://doi.org/10.21203/rs.3.rs-2178425/v1
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Edwards, Miles Matthew 2022. Investigating rate enhancements in alpha-keto esters using cinchona and non-cinchona alkaloids. PhD Thesis, Cardiff University.
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Esmaili, Hamed, Kowsari, Elaheh, Sarabadani Tafreshi, Saeedeh, Ramakrishna, Seeram, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Abdouss, Majid 2022. TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study. Journal of Molecular Liquids 356 , 118960. 10.1016/j.molliq.2022.118960

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Gierlichs, Lukas James 2022. A brief exploration of early main group element materials and their properties. PhD Thesis, Cardiff University.
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Gökce, Halil, Sen, Fatih, Sert, Yusuf, Abdel-Wahab, Bakr F., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2022. Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N?-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. Molecules 27 (7) , 2193. 10.3390/molecules27072193
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Hayes, Heather 2022. Investigating the effects of cyclisation on a protein tool and a biocatalyst. PhD Thesis, Cardiff University.
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Lander, Alexander J., Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2022. D‐peptide and d‐protein technology: recent advances, challenges, and opportunities. ChemBioChem , e202200537. 10.1002/cbic.202200537
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Li, Lili, Kang, Xinchen, He, Meng, Sheveleva, Alena, Hu, Kui, Xu, Shaojun, Zhou, Yiqi, Chen, Jin, Sapchenko, Sergei, Whitehead, George, Vitorica-Yrezabal, Iñigo J., Lopez-Odriozola, Laura, Natrajan, Louise S., McInnes, Eric J. L., Schröder, Martin, Yang, Sihai and Tuna, Floriana 2022. Evolution of bismuth-based metal?organic frameworks for efficient electroreduction of CO2. Journal of Materials Chemistry A: materials for energy and sustainability 10 (34) , pp. 17801-17807. 10.1039/D2TA04485D
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Ma, Yujie, Lu, Wanpeng, Han, Xue, Chen, Yinlin, da Silva, Ivan, Lee, Daniel, Sheveleva, Alena M., Wang, Zi, Li, Jiangnan, Li, Weiyao, Fan, Mengtian, Xu, Shaojun, Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudi?, Svemir, Manuel, Pascal, Frogley, Mark D., Ramirez-Cuesta, Anibal J., Schröder, Martin and Yang, Sihai 2022. Direct observation of ammonia storage in UiO-66 incorporating Cu(II) binding sites. Journal of the American Chemical Society 144 (19) , pp. 8624-8632. 10.1021/jacs.2c00952
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Mathuri, Ashis, Pramanik, Milan and Mal, Prasenjit 2022. 3-arylsulfonylquinolines from n-propargylamines via cascaded oxidative sulfonylation using dabso. The Journal of Organic Chemistry 87 (10) , pp. 6812-6823. 10.1021/acs.joc.2c00499

Maunder, Rhodri 2022. Disposable nappies to fine chemicals. PhD Thesis, Cardiff University.
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McLaren, Rachel L., da Costa, Rosenildo C., Booth, Anna C., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Laycock, Christian J., Warwick, Michael E. A. and Owen, Gareth R. 2022. Oleophobic coated composite materials based on multi-layer graphitic scaffolding: applications within aircraft propellant tanks and oil-spill clean-up †. Molecular Systems Design & Engineering 10.1039/d2me00197g
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Thomas, Bria 2022. Novel colorimetric mustard sensing in surfactant and microemulsion systems. PhD Thesis, Cardiff University.
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Wang, Lina, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, Malpass-Evans, Richard, McKeown, Neil B., Fletcher, Philip J., Estrela, Pedro, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Marken, Frank 2022. Artificial formate oxidase reactivity with nano-palladium embedded in intrinsically microporous polyamine (Pd@PIM-EA-TB) driving the H2O2 – 3,5,3′,5′-tetramethylbenzidine (TMB) colour reaction. Journal of Catalysis 416 , pp. 253-266. 10.1016/j.jcat.2022.11.015
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Wang, Xi, Xu, Shaojun, Chalmers, Evelyn, Chen, Xiaogang, Liu, Yong and Liu, Xuqing 2022. Entangled ZnO on ultrathin hollow fibers for UV-aided pollutant decomposition. ACS Applied Materials and Interfaces 14 (8) , pp. 10769-10781. 10.1021/acsami.1c21554
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Wang, Yucheng, Lei, Hanhui, Lu, Shun, Yang, Ziming, Xu, Ben Bin, Xing, Lei and Liu, Terence Xiaoteng 2022. Cu2O nano-flowers/graphene enabled scaffolding structure catalyst layer for enhanced CO2 electrochemical reduction. Applied Catalysis B: Environmental 305 , 121022. 10.1016/j.apcatb.2021.121022

Wang, Zhen, Cui, Xiaoxiao, Famulari, Antonio, Marti-Rujas, Javier, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Guo, Fang 2022. Solid-state stability of Z′ < 1 and Z′ = 2 polymorphs of N,N,N′,N′-tetrabenzylethylenediamine: a combined experimental and theoretical study. CrystEngComm 24 (45) , pp. 7924-7931. 10.1039/d2ce01174c
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Xiong, Ziyue, Weidlich, Frauke, Sanchez, Camille and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2022. Biomimetic total synthesis of (−)-galanthamine via intramolecular anodic aryl–phenol coupling. Organic and Biomolecular Chemistry 20 (20) , pp. 4123-4127. 10.1039/D2OB00669C
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Yang, Hao, Qin, Liguo, Wang, Fei, Mawignon, Fagla Jules, Dong, Mochen, Wu, Yuhao, Zhang, Yali and Ma, Zeyu 2022. A facile method to fabricate the durable and self-protective coating for marine applications. Surface and Coatings Technology 452 , 129124. 10.1016/j.surfcoat.2022.129124
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Ye, Chunchun, Tan, Rui, Wang, Anqi, Chen, Jie, Comesaña Gándara, Bibiana, Breakwell, Charlotte, Alvarez Fernandez, Alberto, Fan, Zhiyu, Weng, Jiaqi, Bezzu, C. Grazia, Guldin, Stefan, Brandon, Nigel P., Kucernak, Anthony R., Jelfs, Kim E., McKeown, Neil B. and Song, Qilei 2022. Long-life aqueous organic redox flow batteries enabled by amidoxime-functionalized ion-selective polymer membranes. Angewandte Chemie International Edition 61 (38) , e202207580. 10.1002/anie.202207580
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Ye, Tongqi, Carter, James H., Chen, Bao, Li, Xin, Ye, Yuewen, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Iron-chromium mixed metal oxides catalyse the oxidative dehydrogenation of propane using carbon dioxide. Catalysis Communications 162 , 106383. 10.1016/j.catcom.2021.106383
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Yue, Erlin, Petrov, Andrey, Frost, Daniel S., Dettling, Lea, Conrad, Lawrence, Wossidlo, Friedrich, Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Weber, Manuela and Müller, Christian 2022. Highly flexible phosphabenzenes: a missing coordination mode of 2,4,6-triaryl-λ3-phosphinines. Chemical Communications 58 (42) , pp. 6184-6187. 10.1039/D2CC01817A
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Zhang, Man, Xu, Shaojun, Boubeche, Mebrouka, Decarolis, Donato, Huang, Yizhe, Liu, Biying, Gibson, Emma K., Li, Xin, Wang, Yuchen, Luo, Huixia, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Yan, Kai 2022. Designed TiS2 nanosheets for efficient electrocatalytic reductive amination of biomass-derived furfurals. Green Chemistry 24 (24) , pp. 9570-9578. 10.1039/D2GC03234A
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Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun and Wu, Chunfei 2022. CO2 capture over steam and KOH activated biochar: Effect of relative humidity. Biomass and Bioenergy 166 , 106608. 10.1016/j.biombioe.2022.106608
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Zhang, Dongsheng, Ren, Pengju, Liu, Wuwen, Li, Yaru, Salli, Sofia, Han, Feiyu, Qiao, Wei, Liu, Yu, Fan, Yingzhu, Cui, Yi, Shen, Yanbin, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Wen, Xiaodong, Rummeli, Mark H., Li, Yongwang, Besenbacher, Flemming, Niemantsverdriet, Hans, Lim, Tingbin and Su, Ren 2022. Photocatalytic abstraction of hydrogen atoms from water using hydroxylated graphitic carbon nitride for hydrogenative coupling reactions. Angewandte Chemie International Edition 134 (24) , e202204256. 10.1002/anie.202204256
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Zhang, Fei, Xie, Hui, Guo, Bing, Zhu, Caizhen and Xu, Jian 2022. AIE-active macromolecules: designs, performances, and applications. Polymer Chemistry 13 (1) , pp. 8-43. 10.1039/D1PY01167G

Zhang, Huaiyuan, Cormanich, Rodrigo A. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2022. Chiral ligands in hypervalent iodine compounds: synthesis and structures of binaphthyl-based λ3-iodanes. Chemistry - A European Journal 28 (5) , e202103623. 10.1002/chem.202103623
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Zhang, Huaiyuan and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2022. Oxidation of BINOLs by hypervalent iodine reagents: facile synthesis of xanthenes and lactones. Chemistry - A European Journal 28 (21) 10.1002/chem.202200181
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Zhang, Shi, Dedovets, Dmytro, Feng, Andong, Wang, Kang and Pera Titus, Marc 2022. Pickering interfacial catalysis for aerobic alcohol oxidation in oil foams. Journal of the American Chemical Society 144 (4) , 1729–1738. 10.1021/jacs.1c11207
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Zhang, Shi, Dedovets, Dmytro and Pera Titus, Marc 2022. Oil foams stabilized by POSS/organosilica particle assemblies: application for aerobic oxidation of aromatic alcohols. Journal of Materials Chemistry A: materials for energy and sustainability 10 (18) , pp. 9997-10003. 10.1039/D2TA00667G
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Zhu, Zuolei, Xu, Chenxi, Wang, Yucheng, Wang, Ling, Chang, Zhou, Fang, Zhongwei, Liu, Xiaoteng and Cheng, Jigui 2022. The high performance NiFe layered double hydroxides@ Ti3C2Tx/reduced graphene oxide hybrid catalyst for oxygen evolution reaction. Journal of Alloys and Compounds 894 , 162393. 10.1016/j.jallcom.2021.162393

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Amri, Nasser and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2021. Flow electrosynthesis of sulfoxides, sulfones, and sulfoximines without supporting electrolytes. Journal of Organic Chemistry 86 (22) , pp. 15961-15972. 10.1021/acs.joc.1c00860
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Baragau, Ioan-Alexandru, Lu, Zhen, Power, Nicholas P., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Bowen, James, Diaz, Pedro and Kellici, Suela 2021. Continuous hydrothermal flow synthesis of S-functionalised carbon quantum dots for enhanced oil recovery. Chemical Engineering Journal 405 , 126631. 10.1016/j.cej.2020.126631
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Chen, Huanhao, Chansai, Sarayute, Xu, Shaojun, Xu, Shanshan, Mu, Yibing, Hardacre, Christopher and Fan, Xiaolei 2021. Dry reforming of methane on bimetallic Pt–Ni@CeO2 catalyst: a in situ DRIFTS-MS mechanistic study. Catalysis Science & Technology 11 (15) , pp. 5260-5272. 10.1039/D1CY00382H
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Cooper, Anna 2021. Lowering the fuel requirement during active regeneration of soot. PhD Thesis, Cardiff University.
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Davies, Josh 2021. Controlling the Au/Iron oxide interface to optimise plasmonic resonance for magneto-optic diagnostics. PhD Thesis, Cardiff University.
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Elgar, Christopher 2021. Red emitting iridium(III) and rhenium(I) complexes developed for photonic applications. PhD Thesis, Cardiff University.
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Epifanovsky, Evgeny, Gilbert, Andrew T. B., Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F., Coons, Marc P., Dempwolff, Adrian L., Gan, Zhengting, Hait, Diptarka, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W., Lao, Ka Un, Levine, Daniel S., Liu, Jie, McKenzie, Simon C., Morrison, Adrian F., Nanda, Kaushik D., Plasser, Felix, Rehn, Dirk R., Vidal, Marta L., You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J., Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H., Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A., Berquist, Eric J., Burton, Hugh G. A., Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D., Closser, Kristina D., Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E., Gulania, Sahil, Gunina, Anastasia O., Hanson-Heine, Magnus W. D., Harbach, Phillip H. P., Hauser, Andreas, Herbst, Michael F., Hernández Vera, Mario, Hodecker, Manuel, Holden, Zachary C., Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C., Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M., Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V., Lefrancois, Daniel, Lehtola, Susi, Li, Run R., Li, Yi-Pei, Liang, Jiashu, Liebenthal, Marcus, Lin, Hung-Hsuan, Lin, You-Sheng, Liu, Fenglai, Liu, Kuan-Yu, Loipersberger, Matthias, Luenser, Arne, Manjanath, Aaditya, Manohar, Prashant, Mansoor, Erum, Manzer, Sam F., Mao, Shan-Ping, Marenich, Aleksandr V., Markovich, Thomas, Mason, Stephen, Maurer, Simon A., McLaughlin, Peter F., Menger, Maximilian F. S. J., Mewes, Jan-Michael, Mewes, Stefanie A., Morgante, Pierpaolo, Mullinax, J. Wayne, Oosterbaan, Katherine J., Paran, Garrette, Paul, Alexander C., Paul, Suranjan K., Pavo?evi?, Fabijan, Pei, Zheng, Prager, Stefan, Proynov, Emil I., Rák, Ádám, Ramos-Cordoba, Eloy, Rana, Bhaskar, Rask, Alan E., Rettig, Adam, Richard, Ryan M., Rob, Fazle, Rossomme, Elliot, Scheele, Tarek, Scheurer, Maximilian, Schneider, Matthias, Sergueev, Nickolai, Sharada, Shaama M., Skomorowski, Wojciech, Small, David W., Stein, Christopher J., Su, Yu-Chuan, Sundstrom, Eric J., Tao, Zhen, Thirman, Jonathan, Tornai, Gábor J., Tsuchimochi, Takashi, Tubman, Norm M., Veccham, Srimukh Prasad, Vydrov, Oleg, Wenzel, Jan, Witte, Jon, Yamada, Atsushi, Yao, Kun, Yeganeh, Sina, Yost, Shane R., Zech, Alexander, Zhang, Igor Ying, Zhang, Xing, Zhang, Yu, Zuev, Dmitry, Aspuru-Guzik, Alán, Bell, Alexis T., Besley, Nicholas A., Bravaya, Ksenia B., Brooks, Bernard R., Casanova, David, Chai, Jeng-Da, Coriani, Sonia, Cramer, Christopher J., Cserey, György, DePrince, A. Eugene, DiStasio, Robert A., Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Goddard, William A., Hammes-Schiffer, Sharon, Head-Gordon, Teresa, Hehre, Warren J., Hsu, Chao-Ping, Jagau, Thomas-C., Jung, Yousung, Klamt, Andreas, Kong, Jing, Lambrecht, Daniel S., Liang, WanZhen, Mayhall, Nicholas J., McCurdy, C. William, Neaton, Jeffrey B., Ochsenfeld, Christian, Parkhill, John A., Peverati, Roberto, Rassolov, Vitaly A., Shao, Yihan, Slipchenko, Lyudmila V., Stauch, Tim, Steele, Ryan P., Subotnik, Joseph E., Thom, Alex J. W., Tkatchenko, Alexandre, Truhlar, Donald G., Van Voorhis, Troy, Wesolowski, Tomasz A., Whaley, K. Birgitta, Woodcock, H. Lee, Zimmerman, Paul M., Faraji, Shirin, Gill, Peter M. W., Head-Gordon, Martin, Herbert, John M. and Krylov, Anna I. 2021. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics 155 (8) , 084801. 10.1063/5.0055522
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Escobar Steinvall, Simon, Stutz, Elias Z., Paul, Rajrupa, Zamani, Mahdi, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Piazza, Valerio, Friedl, Martin, de Mestral, Virginie, Leran, Jean-Baptiste, Zamani, Reza R. and Fontcuberta i Morral, Anna 2021. Towards defect-free thin films of the earth-abundant absorber zinc phosphide by nanopatterning. Nanoscale Advances 3 10.1039/D0NA00841A
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Evangelista, Tereza Cristina Santos, Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Addla, Dinesh, Allão, Rafael A., Kaiser, Carlos Roland, Carneiro, José Walkimar de M., Silva-Jr, Floriano Paes and Ferreira, Sabrina Baptista 2021. Influence of temperature for the azide displacement in benzodiazepine derivatives: Experimental and DFT study of competing SN1, SN2 and double SN2 reaction pathways. Tetrahedron Letters 68 , 152937. 10.1016/j.tetlet.2021.152937
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709, Morton, Paul A., Luz, Christian, Miller, Callum, Raine, Olivia, Lynam, Jason M. and Mansell, Stephen M. 2021. Rhodium Indenyl NHC and Fluorenyl-Tethered NHC Half-Sandwich Complexes: Synthesis, Structures and Applications in the Catalytic C−H Borylation of Arenes and Alkanes. Chemistry - A European Journal 27 (71) , pp. 17824-17833. 10.1002/chem.202102961
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709, Morton, Paul A., Sangster, Calum and Mansell, Stephen M. 2021. One-step synthesis of heteroleptic rare-earth amide complexes featuring fluorenyl-tethered N-heterocyclic carbene ligands. Polyhedron 197 , 115021. 10.1016/j.poly.2021.115021

Exner, Rüdiger M., Paisey, Stephen J. ORCID: https://orcid.org/0000-0002-2274-3708, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869 and Pascu, Sofia I. 2021. Explorations into peptide nucleic acid contrast agents as emerging scaffolds for breakthrough solutions in medical imaging and diagnosis. ACS Omega 6 (43) , pp. 28455-28462. 10.1021/acsomega.1c03994
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Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V., Akimenko, Sergey S. and Myshlyavtsev, Alexander V. 2021. Melting of Fe-terephthalate layers on Cu(100) surface with randomly distributed point defects. Applied Surface Science 545 , 148989. 10.1016/j.apsusc.2021.148989

Fairley, Neal, Fernandez, Vincent, Richard-Plouet, Mireille, Guillot-Deudon, Catherine, Walton, John, Smith, Emily, Flahaut, Delphine, Greiner, Mark, Biesinger, Mark, Tougaard, Sven, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 and Baltrusaitis, Jonas 2021. Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy. Applied Surface Science Advances 5 , 100112. 10.1016/j.apsadv.2021.100112
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Fang, L., Yan, Z., Wu, J., Bugaev, A., Lamberti, C. and Pera-Titus, M. 2021. Highly selective Ru/HBEA catalyst for the direct amination of fatty alcohols with ammonia. Applied Catalysis B: Environmental 286 , 119942. 10.1016/j.apcatb.2021.119942

Fang, Huihuang, Chen, Weikun, Wu, Lijie, Zhao, Pu, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Yuan, Youzhu 2021. Stable and antisintering tungsten carbides with controllable active phase for selective cleavage of aryl ether C-O bonds. ACS Applied Materials and Interfaces 13 (7) , pp. 8274-8284. 10.1021/acsami.0c19599
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Farkas, Barbara 2021. Computational nano-materials and catalysis: Modelling of structural and magnetic properties of bare and ligand-protected cobalt nanoparticles. PhD Thesis, Cardiff University.
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Farkas, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. Effect of coverage on the magnetic properties of -COOH, -SH, and -NH2 ligand-protected cobalt nanoparticles. Nanoscale 13 (27) , pp. 11844-11855. 10.1039/D1NR01081F
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Farkas, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles. Materials 14 (13) , 3611. 10.3390/ma14133611
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Farkaš, Barbara, Terranova, Umberto and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study. Journal of Materials Chemistry B: Materials for biology and medicine 9 (24) , pp. 4915-4928. 10.1039/D0TB02928A
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Fasano, Francesco, Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Bezzu, C. Grazia, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, Kerff, François, Demitri, Nicola, Su, Bao-Lian and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2021. BN‐doped metal–organic frameworks: tailoring 2D and 3D porous architectures through molecular editing of borazines. Chemistry - A European Journal 27 (12) , pp. 4124-4133. 10.1002/chem.202004640
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Faulkner, Christopher 2021. Investigating the molecular basis for anesthesia. PhD Thesis, Cardiff University.
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Faulkner, Christopher and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. Predicting the membrane permeability of fentanyl and its analogues by molecular dynamics simulations. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry) 125 (30) , pp. 8443-8449. 10.1021/acs.jpcb.1c05438
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Felemban, Sarah A., Bezzu, C. Grazia, Comesaña-Gándara, Bibiana, Jansen, Johannes C., Fuoco, Alessio, Esposito, Elisa, Carta, Mariolino and McKeown, Neil B. 2021. Synthesis and gas permeation properties of tetraoxidethianthrene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 9 , pp. 2840-2849. 10.1039/D0TA10134F
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Fischer, Lukas, Wossidlo, Friedrich, Frost, Daniel, Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Steinhauer, Simon, Riedel, Sebastian and Müller, Christian 2021. One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt. Chemical Communications 57 (75) , pp. 9522-9525. 10.1039/D1CC03892C
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Fitzgerald, Sophie A., Otaif, Haleema Y., Elgar, Christopher E., Sawicka, Natalia, Horton, Peter N., Coles, Simon J., Beames, Joseph M. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2021. Polysubstituted ligand framework for color tuning phosphorescent iridium(III) complexes. Inorganic Chemistry 60 (20) , pp. 15467-15484. 10.1021/acs.inorgchem.1c02121
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Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Ritterskamp, Nadine, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 2021. Probing the structure of copper(II)-casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR spectroscopy. Journal of Catalysis 394 , pp. 220-227. 10.1016/j.jcat.2020.07.016
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Fransson, Thomas, Brumboiu, Iulia E., Vidal, Marta L., Norman, Patrick, Coriani, Sonia and Dreuw, Andreas 2021. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of Chemical Theory and Computation 17 (3) , pp. 1618-1637. 10.1021/acs.jctc.0c01082
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Freakley, Simon J., Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2021. Methane oxidation to methanol in water. Accounts of Chemical Research 54 (11) , 2614–2623. 10.1021/acs.accounts.1c00129
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Galmés, Miquel À., Nodling, Alexander R., Luk, Louis ORCID: https://orcid.org/0000-0002-7864-6261, Swiderek, Katarzyna and Moliner, Vicent 2021. Combined theoretical and experimental study to unravel the differences in promiscuous amidase activity of two nonhomologous enzymes. ACS Catalysis 11 (14) , pp. 8635-8644. 10.1021/acscatal.1c02150
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Gao, L., Miletto, I., Ivaldi, C., Paul, G., Marchese, L., Coluccia, S., Jiang, F., Gianotti, E. and Pera-Titus, M. 2021. Rational design of bifunctional hierarchical Pd/SAPO-5 for the synthesis of tetrahydrofuran derivatives from furfural. Journal of Catalysis 397 , pp. 75-89. 10.1016/j.jcat.2021.03.003

Gao, Zhuyan, Luo, Nengchao, Huang, Zhipeng, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Wang, Feng 2021. Controlling radical intermediates in photocatalytic conversion of low-carbon-number alcohols. ACS Sustainable Chemistry and Engineering 9 (18) , 6188–6202. 10.1021/acssuschemeng.1c01066
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Gazis, Theodore 2021. Triarylboranes in azo and carbene chemistry. PhD Thesis, Cardiff University.
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Gazis, Theodore A., Carden, Jamie L., Alharbi, Mashael M. and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2021. Triarylboranes in the activation of azo-containing compounds. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438.eibc2780)

Ge, Mengyu, Molt, Robert W., Jenkins, Huw T., Blackburn, G. Michael, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371 and Antson, Alfred A. 2021. Octahedral Trifluoromagnesate, an anomalous metal fluoride species, stabilizes the transition state in a biological motor. ACS Catalysis 11 , 2769–2773. 10.1021/acscatal.0c04500
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Ghani, Hassan, Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2021. Tin complexes of 4-(Benzylideneamino)benzenesulfonamide: synthesis, structure elucidation and their efficiency as PVC photostabilizers. Polymers 13 (15) , 2434. 10.3390/polym13152434
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Görlich, Tim, Frost, Daniel S., Boback, Nico, Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Dittrich, Birger, Müller, Peter, Jones, William D. and Müller, Christian 2021. Photochemical C(sp)–C(sp2) bond activation in phosphaalkynes: a new route to reactive terminal cyaphido complexes LnM–C≡P. Journal of the American Chemical Society 143 (46) , 19365–19373. 10.1021/jacs.1c07370

Gorman, Sam, Rickaby, Kirstie, Lu, Li, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Macphee, Donald E. and Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 2021. A combination of EPR, microscopy, electrophoresis and theory to elucidate the chemistry of W- and N-Doped TiO2 nanoparticle/water interfaces. Catalysts 11 (11) , 1305. 10.3390/catal11111305
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Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew G., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Jacquemin, Johan and Hardacre, Christopher 2021. Combined experimental and theoretical study of the competitive absorption of CO2 and NO2 by a superbase ionic liquid. ACS Sustainable Chemistry and Engineering 9 (22) , 7578–7586. 10.1021/acssuschemeng.1c01451
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Guadix-Montero, Susana, Santos Hernandez, Alba, Lei, Nian, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Wang, Aiqin, Zhang, Tao, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203 2021. Controlling the selectivity of supported Ru nanoparticles during glycerol hydrogenolysis: C−O vs C−C cleavage. ChemCatChem 13 (6) , pp. 1595-1606. 10.1002/cctc.202001881
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Guan, Shaoliang, Rossi, Giovanni E., Winfield, John M., Wilson, Claire, MacLaren, Donald, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Lennon, David 2021. The interaction of CO with a copper(ii) chloride oxy-chlorination catalyst. Faraday Discussions 229 , pp. 318-340. 10.1039/D0FD00014K
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Guppy, Owaen 2021. The study of polymeric and solid-state luminescent materials. PhD Thesis, Cardiff University.
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Hadi, Angham G., Baqir, Sadiq J., Ahmed, Dina S., El-Hiti, Gamal A., Hashim, Hassan, Ahmed, Ahmed, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Yousif, Emad 2021. Substituted organotin complexes of 4-methoxybenzoic acid for reduction of poly(vinyl chloride) photodegradation. Polymers 13 (22) , 3946. 10.3390/polym13223946
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Halbert, Loïc, Vidal, Marta L., Shee, Avijit, Coriani, Sonia and Severo Pereira Gomes, André 2021. Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian. Journal of Chemical Theory and Computation 17 (6) , pp. 3583-3598. 10.1021/acs.jctc.0c01203
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Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2021. C-H functionalization via electrophotocatalysis and photoelectrochemistry: complementary synthetic approach. ACS Sustainable Chemistry and Engineering 9 (12) , pp. 4324-4340. 10.1021/acssuschemeng.0c08434
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Hareesh, K., Rondiya, Sachin R., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Dhole, S.D., Williams, Jim and Sergey, Samarin 2021. Polymer-wrapped reduced graphene oxide/nickel cobalt ferrite nanocomposites as tertiary hybrid supercapacitors: insights from experiment and simulation. Journal of Science: Advanced Materials and Devices 6 (2) , pp. 291-301. 10.1016/j.jsamd.2021.03.001
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Harnedy, James, Hareram, Mishra Deepak, Tizzard, Graham J., Coles, Simon J. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2021. Electrochemical oxidative Z-selective C(sp2)-H chlorination of acrylamides. Chemical Communications 57 (94) , pp. 12643-12646. 10.1039/D1CC05824J
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Hartley, P., Egdell, R. G., Zhang, K. H. L., Hohmann, M. V., Piper, L. F. J., Morgan, D. J. ORCID: https://orcid.org/0000-0002-6571-5731, Scanlon, D. O., Williamson, B. A. D. and Regoutz, A. 2021. Experimental and theoretical study of the electronic structures of lanthanide indium perovskites LnInO3. Journal of Physical Chemistry C 125 (11) , pp. 6387-6400. 10.1021/acs.jpcc.0c11592
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Hawkins, Bryson A., Han, Jaeyeon, Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Divakarla, Shravan S., Groundwater, Paul W., Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Hibbs, David E. 2021. Analyzing hydration differences in cocrystal polymorphs: high-resolution X-ray investigation of caffeine-glutaric acid cocrystals. Crystal Growth and Design 21 (8) , pp. 4456-4467. 10.1021/acs.cgd.1c00358
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Hayes, Heather C., Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 2021. Approaches for peptide and protein cyclisation. Organic and Biomolecular Chemistry 19 (18) , pp. 3983-4001. 10.1039/D1OB00411E
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Heard, Matthew J., Stefkova, Katarina, van Ingen, Yara and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2021. Frustrated Lewis pairs in organic synthesis. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, (10.1016/B978-0-12-820206-7.00041-X)

Hernandez Tamargo, Carlos, Silverwood, Ian P., O'Malley, Alexander J. and Leeuw, Nora H. de 2021. Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite Beta. Topics in Catalysis 64 , pp. 707-721. 10.1007/s11244-020-01400-1
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Hernandez-Tamargo, Carlos, Kwakye-Awuah, Bright, O'Malley, Alexander J. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments. Microporous and Mesoporous Materials 315 , 110903. 10.1016/j.micromeso.2021.110903
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Hong, Yerin, Cho, Yongjoon, Go, Eun Min, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Cho, Hyeonjin, Lee, Byongkyu, Lee, Sang Myeon, Park, Sung O., Ko, Myohwa, Kwak, Sang Kyu, Yang, Changduk and Jang, Ji-Wook 2021. Unassisted photocatalytic H2O2 production under visible light by fluorinated polymer-TiO2 heterojunction. Chemical Engineering Journal 418 , 129346. 10.1016/j.cej.2021.129346

Hou, Qing, Buckeridge, John, Walsh, Aron, Xie, Zijuan, Lu, You, Keal, Thomas W., Guan, Jingcheng, Woodley, Scott M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Sokol, Alexey A. 2021. The interplay of interstitial and substitutional copper in zinc oxide. Frontiers in Chemistry 9 , 780935. 10.3389/fchem.2021.780935
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Hu, H., Ramzan, A., Wischert, R., Jerôme, F., Michel, C., de Olivera Vigier, K. and Pera-Titus, M. 2021. Pivotal role of H2 in the isomerisation of isosorbide over a Ru/C catalyst. Catalysis Science & Technology 11 (24) , pp. 7973-7981. 10.1039/D1CY01709H

Huke, Cameron and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2021. Hydrofunctionalization reactions of heterocumulenes: Formation of C–X (X = B, N, O, P, S and Si) bonds by homogeneous metal catalysts. Perez, Pedro J., ed. Advances in Organometallic Chemistry, Vol. 75. Elsevier, pp. 1-54. (10.1016/bs.adomc.2021.01.003)

Huke, Cameron D., Taylor, Laurence J., Argent, Stephen P. and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2021. Catalyst-free hydrophosphinylation of isocyanates and isothiocyanates under low-added-solvent conditions. ACS Sustainable Chemistry & Engineering 9 (32) , 10704–10709. 10.1021/acssuschemeng.1c02907
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Hussain, Mian Zahid, Yang, Zhuxian, Linden, Bart van der, Huang, Zheng, Jia, Quanli, Cerrato, Erik, Fischer, Roland A., Kapteijn, Freek, Zhu, Yanqiu and Xia, Yongde 2021. Surface functionalized N-C-TiO2/C nanocomposites derived from metal-organic framework in water vapour for enhanced photocatalytic H2 generation. Journal of Energy Chemistry 57 , pp. 485-495. 10.1016/j.jechem.2020.08.048

Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2021. Spiers memorial lecture: understanding reaction mechanisms in heterogeneously catalysed reactions. Faraday Discussions 229 , pp. 9-34. 10.1039/D1FD00023C
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Iantaffi, Caterina, Leung, Chu Lun Alex, Chen, Yunhui, Guan, Shaoliang, Atwood, Robert C., Lertthanasarn, Jedsada, Pham, Minh-Son, Meisnar, Martina, Rohr, Thomas and Lee, Peter D. 2021. Oxidation induced mechanisms during directed energy deposition additive manufactured titanium alloy builds. Additive Manufacturing Letters 1 , 100022. 10.1016/j.addlet.2021.100022
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Inns, Donald R., Mayer, Alexander J., Skukauskas, Vainius, Davies, Thomas E., Callison, June and Kondrat, Simon A. 2021. Evaluating the activity and stability of perovskite LaMO3-based Pt catalysts in the aqueous phase reforming of glycerol. Topics in Catalysis 64 , pp. 992-1009. 10.1007/s11244-021-01449-6
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Isaacs, Mark A., Davies-Jones, Josh, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, Lee, Roxy, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Palgrave, Robert and 2021. Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials. Materials Chemistry Frontiers 5 (22) , pp. 7931-7963. 10.1039/D1QM00969A
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Jadhav, Chandradip D., Rondiya, Sachin R., Hambire, Reshma C., Baviskar, Devashri R., Deore, Avinash V., Cross, Russell W., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Chavan, Padmakar G. 2021. Highly efficient field emission properties of vertically aligned 2D CuSe nanosheets: an experimental and theoretical investigation. Journal of Alloys and Compounds 875 , 159987. 10.1016/j.jallcom.2021.159987
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Jathar, Sagar B., Rondiya, Sachin R., Jadhav, Yogesh A., Nilegave, Dhanaraj S., Cross, Russell W., Barma, Sunil V., Nasane, Mamta P., Gaware, Shankar A., Bade, Bharat R., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2021. Ternary Cu2SnS3: synthesis, structure, photoelectrochemical activity, and heterojunction band offset and alignment. Chemistry of Materials 33 (6) , pp. 1983-1993. 10.1021/acs.chemmater.0c03223
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Jerwood, Kimberley, Lowy, Phoebe, Deeming, Laura, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 2021. Remote control: stereoselective coordination of electron-deficient 2,2′-bipyridine ligands to Re(i) and Ir(iii) cores. Dalton Transactions 50 (45) , pp. 16459-16463. 10.1039/D1DT02928B
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Jia, Zhiyong, Rondiya, Sachin R., Cross, Russell W., Wang, Cheng, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Zhang, Chuang 2021. Highly active methanol oxidation electrocatalyst based on 2D NiO porous nanosheets:a combined computational and experimental study. Electrochimica Acta 394 , 139143. 10.1016/j.electacta.2021.139143
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Jones, Andrew C., Nicholson, William I., Leitch, Jamie A. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2021. A ball-milling-enabled cross-electrophile coupling. Organic Letters 23 (16) , 6337–6341. 10.1021/acs.orglett.1c02096
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Jones, Corey L., Hughes, Colan E., Yeung, Hamish H.-M., Paul, Alison ORCID: https://orcid.org/0000-0002-7653-9964, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2021. Exploiting in-situ NMR to monitor the formation of a metal-organic framework. Chemical Science 12 (4) , pp. 1486-1494. 10.1039/D0SC04892E
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Juramy, Marie, Chèvre, Romain, Cerreia Vioglio, Paolo, Ziarelli, Fabio, Besson, Eric, Gastaldi, Stéphane, Viel, Stéphane, Thureau, Pierre, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Mollica, Giulia 2021. Monitoring crystallization processes in confined porous materials by dynamic nuclear polarization solid-state nuclear magnetic resonance. Journal of the American Chemical Society 143 (16) , pp. 6095-6103. 10.1021/jacs.0c12982
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Kabalan, Lara, Kowalec, Igor, Catlow, C. Richard A. and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2021. A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces. Physical Chemistry Chemical Physics 23 (27) , pp. 14649-14661. 10.1039/D1CP01602D
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Kaehler, Tanja and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2021. Comparative study of fluorinated triarylalanes and their borane counterparts. Cell Reports Physical Science 2 (10) , 100595. 10.1016/j.xcrp.2021.100595
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Kaler, Sandeep, McKeown, Paul, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 and Jones, Matthew D. 2021. Aluminium(iii) and zinc(ii) complexes of azobenzene-containing ligands for ring-opening polymerisation of ε-caprolactone and rac-lactide. Inorganic Chemistry Frontiers 8 (3) , pp. 711-719. 10.1039/D0QI01303J
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Kandil, Sahar B. ORCID: https://orcid.org/0000-0003-1806-9623, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 2021. Synthesis, biological evaluation and X-ray analysis of bicalutamide sulfoxide analogues for the potential treatment of prostate cancer. Bioorganic and Medicinal Chemistry Letters 36 , 127817. 10.1016/j.bmcl.2021.127817
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Kang, Liqun, Wang, Bolun, Güntner, Andreas T., Xu, Siyuan, Wan, Xuhao, Liu, Yiyun, Marlow, Sushila, Ren, Yifei, Gianolio, Diego, Tang, Chiu C., Murzin, Vadim, Asakura, Hiroyuki, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Guan, Shaoliang, Velasco-Vélez, Juan J., Pratsinis, Sotiris E., Guo, Yuzheng and Wang, Feng Ryan 2021. The electrophilicity of surface carbon species in the redox reactions of CuO-CeO2 catalysts. Angewandte Chemie International Edition 60 (26) 10.1002/anie.202102570
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Kaowphong, Sulawan, Chachvalvutikul, Auttaphon, Hongsith, Niyom, Ren, James and Prasatkhetragarn, Anurak 2021. Synthesis of NiO nanostructures by sonocatalyzed microwave irradiation technique and their acetone sensing properties. Integrated Ferroelectrics 214 (1) , pp. 205-216. 10.1080/10584587.2020.1857197

Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Abdel Wahab, Bakr F. and El-Hiti, Gamal A. 2021. Synthesis and structural characterization of Isostructural 4-(4-Aryl)-2-(5-(4-fluorophenyl)-3-(1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazoles. Crystals 11 (7) , 795. 10.3390/cryst11070795
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Kennedy-Britten, Oliver, Al Shammari, Nadiyah and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2021. Molecular dynamics simulations of copper binding to N-terminus mutants of amyloid-β. Journal of Biomolecular Structure and Dynamics 39 (6) , pp. 2003-2013. 10.1080/07391102.2020.1745692
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Kennedy-Britten, Oliver D., Alshammari, Nadiyah and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2021. Accelerated molecular dynamics to explore the binding of transition metals to amyloid-β. ACS Chemical Neuroscience 12 (21) , pp. 4065-4075. 10.1021/acschemneuro.1c00466
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Khan, Md. Nasim and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2021. Chiral Triptycenes: concepts, progress and prospects. Chemistry - A European Journal 27 (24) , pp. 7059-7068. 10.1002/chem.202005317
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Kim, Young Jin, Kim, Min-Zy, Alam, Syed Fakhar, Rehman, Aafaq ur, Devipriyanka, Arepalli, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Lee, Hye Ryeon and Cho, Churl-Hee 2021. Polarity-dependent particle size of zeolitic imidazolate framework synthesized in various solvents. Materials Chemistry and Physics: Including Materials Science Communications 259 , 124021. 10.1016/j.matchemphys.2020.124021

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Kitchamsetti, Narasimharao, Ramteke, Mrunmay S., Rondiya, Sachin R., Mulani, Sameena R., Patil, Madhuri S., Cross, Russell W., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Devan, Rupesh S. 2021. DFT and experimental investigations on the photocatalytic activities of NiO nanobelts for removal of organic pollutants. Journal of Alloys and Compounds 855 (P1) , 157337. 10.1016/j.jallcom.2020.157337
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Koczor, Sándor, Vuts, József, Caulfield, John C., Withall, David M., Sarria, André, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A., Csonka, Éva Bálintné and Tóth, Miklós 2021. Sex pheromone of the alfalfa plant bug, Adelphocoris lineolatus: pheromone composition and antagonistic effect of 1-hexanol (Hemiptera: Miridae). Journal of Chemical Ecology 47 , pp. 525-533. 10.1007/s10886-021-01273-y
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Kumar, Ankit, Mishra, Pawan K. ORCID: https://orcid.org/0000-0003-1141-3487, Saini, Kapil Mohan and Verma, Akhilesh K. 2021. Base‐promoted synthesis of polysubstituted 4‐aminoquinolines from ynones and 2‐aminobenzonitriles under transition‐metal‐free conditions. Advanced Synthesis and Catalysis 363 (10) , pp. 2546-2551. 10.1002/adsc.202100023
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Lee, Jae Hwa, Cho, Hyeonjin, Park, Sung O., Hwang, Jeong Min, Hong, Yerin, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Jeon, Woo Cheol, Cho, Yongjoon, Yang, Changduk, Kwak, Sang Kyu, Moon, Hoi Ri and Jang, Ji-Wook 2021. High performance H2O2 production achieved by sulfur-doped carbon on CdS photocatalyst via inhibiting reverse H2O2 decomposition. Applied Catalysis B: Environmental 284 , 119690. 10.1016/j.apcatb.2020.119690

Leteba, Gerard M., Wang, Yi-Chi, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Cai, Rongsheng, Byrne, Conor, Race, Christopher P., Mitchell, David R. G., Levecque, Pieter B. J., Young, Neil P., Holmes, Stuart M., Walton, Alex, Kirkland, Angus I., Haigh, Sarah J. and Lang, Candace I. 2021. Oleylamine aging of PtNi nanoparticles giving enhanced functionality for the oxygen reduction reaction. Nano Letters 21 (9) , pp. 3989-3996. 10.1021/acs.nanolett.1c00706
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Lewis, Richard J., Ntainjua, Edwin N., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Carley, Albert F., Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2021. Improving the performance of Pd based catalysts for the direct synthesis of hydrogen peroxide via acid incorporation during catalyst synthesis. Catalysis Communications 161 , 106358. 10.1016/j.catcom.2021.106358
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Lewis, Eloise C. and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2021. First-principles density functional theory characterisation of the adsorption complexes of H3AsO3 on cobalt ferrite (Fe2CoO4) surfaces. Minerals 11 (2) , 195. 10.3390/min11020195
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Li, Da, Zhang, Hao, Xiang, Hang, Rasul, Shahid, Fontmorin, Jean-Marie, Izadi, Paniz, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Taylor, Rebecca, Feng, Yujie, Banerji, Liam, Cowan, Alexander, Yu, Eileen Hao and Xuan, Jin 2021. How to go beyond C1 products with electrochemical reduction of CO2. Sustainable Energy & Fuels 5 (23) , 5893--5914. 10.1039/D1SE00861G
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Li, Simin, Ceccato, Marcel, Lu, Xiuyuan, Frank, Sara, Lock, Nina, Roldan, Alberto, Hu, Xin-Ming, Skrydstrup, Troels and Daasbjerg, Kim 2021. Incorporation of nickel single atoms into carbon paper as self-standing electrocatalyst for CO2 reduction. Journal of Materials Chemistry A: materials for energy and sustainability 9 , pp. 1583-1592. 10.1039/D0TA08433F
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Li, Simin, Zhao, Siqi, Lu, Xiuyuan, Ceccato, Marcel, Hu, Xin-Ming, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Catalano, Jacopo, Catalano, Jacopo, Liu, Min, Skrydstrup, Troels and Daasbjerg, Kim 2021. Low-valence Znδ+ (0<2) single-atom material as highly efficient electrocatalyst for CO2 reduction. Angewandte Chemie International Edition 60 , 22826–22832. 10.1002/anie.202107550
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Li, Wei, Wang, Lingnan, Zhou, Fei, Li, Changyan, Ma, Weihua, Chen, Hao, Wang, Guirong, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Zhou, Jing-Jiang and Lin, Yongjun 2021. Overexpression of the homoterpene synthase gene, OsCYP92C21, increases emissions of volatiles mediating tritrophic interactions in rice. Plant, Cell and Environment 44 (3) , pp. 948-963. 10.1111/pce.13924
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Li, Yaqi, Guan, Shaoliang, Huo, Hua, Ma, Yulin, Gao, Yunzhi, Zuo, Pengjian and Yin, Geping 2021. A review of magnesium aluminum chloride complex electrolytes for Mg batteries. Advanced Functional Materials 31 (24) , 2100650. 10.1002/adfm.202100650
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Linford-Wood, Thomas G., Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080 and Webster, Ruth L. 2021. Room temperature iron catalyzed transfer hydrogenation using n-butanol and poly(methylhydrosiloxane). Green Chemistry 23 (7) , pp. 2703-2709. 10.1039/D0GC04175K
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Liu, Yu, Taylor, Laurence J., Argent, Stephen P., McMaster, Jonathan and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2021. Group 11 m-terphenyl complexes featuring metallophilic interactions. Inorganic Chemistry 60 (14) , pp. 10114-10123. 10.1021/acs.inorgchem.0c03623
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Liu, Biying, Xu, Shaojun, Zhang, Man, Li, Xin, Decarolis, Donato, Liu, Yuqian, Wang, Yuchen, Gibson, Emma K., Catlow, C. Richard A. and Yan, Kai 2021. Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets. Green Chemistry 23 (11) , pp. 4034-4043. 10.1039/D1GC00901J
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Lu, Xiuyuan, Zhang, Jing, Chen, Wenkai and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2021. Kinetic and mechanistic analysis of NH3 decomposition on Ru(0001), Ru(111) and Ir(111) surfaces. Nanoscale Advances 3 (6) , pp. 1624-1632. 10.1039/D1NA00015B
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Lu, Shun, Hummel, Matthew, Gu, Zhengrong, Wang, Yucheng, Wang, Keliang, Pathak, Rajesh, Zhou, Yue, Jia, Hongxing, Qi, Xueqiang, Zhao, Xianhui, Xu, Ben Bin and Liu, Xiaoteng 2021. Highly efficient urea oxidation via nesting nano-nickel oxide in eggshell membrane-derived carbon. ACS Sustainable Chemistry and Engineering 9 (4) , 1703–1713. 10.1021/acssuschemeng.0c07614

Lu, Xiuyuan and Roldan, Alberto 2021. Are carbon-based materials good supports for the catalytic reforming of ammonia? Journal of Physical Chemistry C 125 (29) , pp. 15950-15958. 10.1021/acs.jpcc.1c03996
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Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2021. Facile synthesis and enhanced photocatalytic activity of a novel FeVO4/Bi4O5Br2 heterojunction photocatalyst through step-scheme charge transfer mechanism. Colloids and Surfaces A: Physicochemical and Engineering Aspects 627 , 127217. 10.1016/j.colsurfa.2021.127217
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MacGinley, Joseph 2021. The aerobic, partial oxidation of THPMI for the production of cashmeran. PhD Thesis, Cardiff University.
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McBride, Tom 2021. Exploring reactor design to harness reactive intermediates. PhD Thesis, Cardiff University.
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McLaren, Rachel L., da Costa, Rosenildo C., Laycock, Christian J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Warwick, Michael E. A. and Owen, Gareth R. 2021. Oleophobic composite films based on multi-layer graphitic scaffolding. New Journal of Chemistry 45 (41) , pp. 19210-19214. 10.1039/D1NJ02727A
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McMillan, Paul F., Wilding, Martin C., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Bras, Wim 2021. Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics. Journal of Physics: Condensed Matter 33 (39) , 390401. 10.1088/1361-648X/ac1301
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Mehta, Nimai 2021. Synthesis, physicochemical and atomistic analysis of templated polymerisation in metal-organic frameworks (MOFs). PhD Thesis, Cardiff University.
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Mezoughi, Aysha B., Costanzo, Chiara M., Parker, Gregor M., Behiry, Enas M., Scott, Alan, Wood, Andrew C., Adams, Sarah E., Sessions, Richard B. and Loveridge, E. Joel 2021. The lysozyme inhibitor thionine acetate is also an inhibitor of the soluble lytic transglycosylase Slt35 from escherichia coli. Molecules 26 (14) , 4189. 10.3390/molecules26144189
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Mills, Emily 2021. Developing generic and modular approaches to targeted cancer cell therapeutics. PhD Thesis, Cardiff University.
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Mishra, Deepak 2021. Electrochemical strategies for the generation and utilization of alkoxy radicals and alkene functionalization. PhD Thesis, Cardiff University.
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Xu, Shaojun, Han, Xue, Ma, Yujie, Duong, Thien D., Lin, Longfei, Gibson, Emma K., Sheveleva, Alena, Chansai, Sarayute, Walton, Alex, Ngo, Duc-The, Frogley, Mark D., Tang, Chiu C., Tuna, Floriana, McInnes, Eric J.L., Catlow, C. Richard A., Hardacre, Christopher, Yang, Sihai and Schröder, Martin 2021. Catalytic decomposition of NO2 over a copper-decorated metal-organic framework by non-thermal plasma. Cell Reports Physical Science 2 (2) , 100349. 10.1016/j.xcrp.2021.100349
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Yamamoto Raynbird, Marina, Khokhar, Shaista, Neef, Daniel, Evans, Gareth and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2021. Synthesis of ajoene analogues by novel synthetic strategies. Chemistry - A European Journal 27 (9) , pp. 3008-3012. 10.1002/chem.202005023
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Yang, Nating, Pattisson, Samuel, Douthwaite, Mark, Zeng, Gaofeng, Zhang, Hao, Ma, Jingyuan and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2021. Influence of stabilizers on the performance of Au/TiO2 catalysts for CO oxidation. ACS Catalysis 11 (18) , pp. 11607-11615. 10.1021/acscatal.1c02820
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Yang, Pengfei, Douthwaite, Mark, Pan, Jiahao, Zheng, Lirong, Hong, Song, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Gao, Mingyu, Li, Dianqing, Feng, Junting and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2021. Coordinately unsaturated O2c–Ti5c–O2c sites promote the reactivity of Pt/TiO2 catalysts in the solvent-free oxidation of octanol. Catalysis Science & Technology 11 (14) , pp. 4898-4910. 10.1039/D1CY00686J
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Yang, Shufan 2021. Tailoring properties of polythiophene-based electrochromic displays. MPhil Thesis, Cardiff University.
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Yaseen, Anaheed A., Al-Tikrity, Emaad T. B., Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2021. Effect of ultraviolet irradiation on polystyrene containing cephalexin Schiff bases. Polymers 13 (17) , 2982. 10.3390/polym13172982
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Yaseen, Anaheed A., Yousif, Emad, Al-Tikrity, Emaad T. B., El-Hiti, Gamal A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Ahmed, Dina S. and Bufaroosha, Muna 2021. FTIR, weight, and surface morphology of poly(vinyl chloride) doped with tin complexes containing aromatic and heterocyclic moieties. Polymers 13 (19) , 3264. 10.3390/polym13193264
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Ye, Tongqi, Ai, Yue, Chen, Bao, Ye, Yuewen, Sun, Jia, Qin, Ling and Yao, Xin 2021. Enhancement of aldehyde-water shift reaction over CuZnAl catalyst by Mn promoter. Catalysis Communications 149 , 106262. 10.1016/j.catcom.2020.106262
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Ye, Yuewen, Chen, Bao, Li, Xin, Ai, Yue, Sun, Jia, Ni, Gang, Qin, Ling and Ye, Tongqi 2021. Oxidation of bio‐aldehyde and bio‐alcohol to carboxylic acid by water over modified CuZnAl catalysts. ChemistrySelect 6 (9) , pp. 1976-1983. 10.1002/slct.202100216
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Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2021. A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory. Royal Society Open Science 8 (11) , 210952. 10.1098/rsos.210952
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Zhang, Zhenfei, Liu, Yong, Portaluri, Vincent, Woodcock, Christine, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Wang, Senshan and Zhou, Jing-Jiang 2021. Chemical identity and functional characterization of semiochemicals that promote the interactions between rice plant and rice major pest Nilaparvata lugens. Journal of Agricultural and Food Chemistry 69 (16) , 4635–4644. 10.1021/acs.jafc.1c01135
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Zhang, Fei 2021. Syntheses of polyethers and biodegradable polyesters utilizing aluminium-based catalysts. PhD Thesis, Cardiff University.
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Zhang, Man, Wang, Yaqiong, Liu, Jianguo, Thangamuthu, Madasamy, Yue, Yajun, Yan, Zhongna, Feng, Jingyu, Zhang, Dou, Zhang, Hongtao, Guan, Shaoliang, Titirici, Maria-Magdalena, Abrahams, Isaac, Tang, Junwang, Zhang, Zhen, Dunn, Steve and Yan, Haixue 2021. Facile one-step synthesis and enhanced photocatalytic activity of a WC/ferroelectric nanocomposite. Journal of Materials Chemistry A: materials for energy and sustainability 9 (40) , pp. 22861-22870. 10.1039/D1TA04131B
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Zhang, Qing, Liu, Weiyan, Zhou, Yi, Li, Junyan, Sun, Tu, Liu, Qingyuan, Ma, Yanhang, Wang, Jinghui, Li, Jun, Zhao, Ruoshi, Sui, Yu, Matsumoto, Takashi, Muroyama, Norihiro, Yamano, Akihito, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Shen, Zhijian James and Terasaki, Osamu 2021. Andersson‐Magnéli phases TinO2n‐1: recent progress inspired by Swedish scientists. Zeitschrift für anorganische und allgemeine Chemie 647 (2-3) , pp. 126-133. 10.1002/zaac.202000408
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Zhang, Rui, Chutia, Arunabhiram, Sokol, Alexey A., Chadwick, David and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2021. A computational investigation of the adsorption of small copper clusters on the CeO2(110) surface. Physical Chemistry Chemical Physics 35 (23) , pp. 19329-19342. 10.1039/D1CP02973H
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Zhou, Jiawang, Stojanovic, Ljiljana, Berezin, Andrey A., Battisti, Tommaso, Gill, Abigail, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Crespo-Otero, Rachel, Wasielewski, Michael R. and Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 2021. Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical Science 12 (2) , pp. 767-773. 10.1039/D0SC04646A
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Zhou, Laicheng, He, Ran, Qin, Yang, Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Jiang, Li, Zhou, Dong-Dong and Zhang, Ling 2021. Multiple C-H⋯anion and N-H⋯anion hydrogen bond directed two-dimensional crystalline nanosheets with precise distance control of surface charges for enhanced DNA capture. Soft Matter 17 (40) , pp. 9125-9130. 10.1039/D1SM01152A
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Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203, Sheehama, Jacobina, Warwick, Michael E. A., Jones, Daniel R., Mitchel, Claire, Likius, Daniel, Uahengo, Veikko, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Dunnill, Charles W. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2021. Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities. Pure and Applied Chemistry 93 (10) , pp. 1229-1244. 10.1515/pac-2021-0114
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2020

Abbas, Qayes A., Rodrigues, Michelle, Baco, Saturi, Guan, Shaoliang and Morley, Nicola A 2020. Influence of annealing temperature on the structural and magnetic properties of FeGaSiB thin films. Thin Solid Films 701 , 137955. 10.1016/j.tsf.2020.137955
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Abdpour, Soheil, Kowsari, Elaheh, Bazri, Behrouz, Moghaddam, Mohammad Reza Alavi, Tafreshi, Saeedeh Sarabadani, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Simon, Ilka, Schmolke, Laura, Dietrich, Dennis, Ramakrishna, Seeram and Janiak, Christoph 2020. Amino-functionalized MIL-101(Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: an experimental and DFT study. Journal of Molecular Liquids 319 , 114341. 10.1016/j.molliq.2020.114341
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Abdulridha, Samer, Jiang, Jiuxing, Xu, Shaojun, Zhou, Zhaoxia, Liang, He, Mao, Boyang, Zhou, Yangtao, Garforth, Arthur A., Jiao, Yilai and Fan, Xiaolei 2020. Cellulose nanocrystals (CNCs) as hard templates for preparing mesoporous zeolite Y assemblies with high catalytic activity. Green Chemistry 22 (15) , pp. 5115-5122. 10.1039/D0GC01070G
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Abdulridha, Samer, Jiao, Yilai, Xu, Shaojun, Zhang, Rongxin, Garforth, Arthur A. and Fan, Xiaolei 2020. Mesoporous zeolitic materials (MZMs) derived from zeolite Y using a microwave method for catalysis. Frontiers in Chemistry 8 , 482. 10.3389/fchem.2020.00482
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Abedin, Md Ashraful, Kanitkar, Swarom, Kumar, Nitin, Wang, Zi, Ding, Kunlun, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Spivey, James J. 2020. Probing the surface acidity of supported aluminum bromide catalysts. Catalysts 10 (8) , 869. 10.3390/catal10080869
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Abis, Laura, Dimitritatos, Nikolaos, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. The effect of polymer addition on base catalysed glycerol oxidation using gold and gold-palladium bimetallic catalysts. Topics in Catalysis 63 , pp. 394-402. 10.1007/s11244-019-01212-y
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Abis, Laura, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Plasmonic oxidation of glycerol using Au/TiO2 catalysts prepared by sol-immobilisation. Catalysis Letters 150 (1) , pp. 49-55. 10.1007/s10562-019-02952-y
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Adesina, Aduragbemi S., Swiderek, Katarzyna, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261, Moliner, Vicent and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2020. Electric field measurements reveal the pivotal role of Cofactor-Substrate interaction in dihydrofolate reductase catalysis. ACS Catalysis 10 (14) , pp. 7907-7914. 10.1021/acscatal.0c01856
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Agrawal, Kushagra, Chakraborty, Pritam and Kishore, Nanda 2020. Thermochemical mapping of levulinic acid conversion to pentane in supercritical water within the framework of density functional theory. Energy and Fuels 34 (9) , pp. 11061-11072. 10.1021/acs.energyfuels.0c01906

Agrawal, Kushagra and Kishore, Nanda 2020. DFT study on dibenzofuran conversion to cyclohexane and benzene in gas, water and methanol solvents. Journal of Molecular Graphics and Modelling 99 , 107629. 10.1016/j.jmgm.2020.107629

Agrawal, Kushagra and Kishore, Nanda 2020. Study of conversion of bio-oil model compounds in supercritical water using density functional theory. Scientific Reports 10 (1) , 9247. 10.1038/s41598-020-66237-w
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Ahmed, Gaffer, Acharya, Sneha, Agrawal, Kushagra and Kishore, Nanda 2020. Green organic synthesis in supercritical water. Inamuddin, Rajender Boddula and Asiri, Abdulah M., eds. Green Sustainable Process for Chemical and Environmental Engineering and Science: Sustainable Organic Synthesis, Elsevier, pp. 263-285. (10.1016/B978-0-12-819539-0.00011-7)

Aïssaoui, Lamia, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Bouledroua, Moncef 2020. The role of spin-orbit effects in the mobility of N+ ions moving in a helium gas at low temperature. European Physical Journal D 74 , 155. 10.1140/epjd/e2020-10138-0
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Akimenko, Sergey S., Anisimova, Galina D., Fadeeva, Anastasiya I., Fefelov, Vasiliy F., Gorbunov, Vitaliy A., Kayumova, Tatyana R., Myshlyavtsev, Alexander V., Myshlyavtseva, Marta D. and Stishenko, Pavel V. 2020. SuSMoST: Surface Science Modeling and Simulation Toolkit. Journal of Computational Chemistry 41 (23) , pp. 2084-2097. 10.1002/jcc.26370

Akram, Adeeba, Shaw, Greg, Lewis, Richard J., Piccinini, Marco ORCID: https://orcid.org/0000-0002-8479-4164, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Freakley, Simon J., Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Moulijn, Jacob A. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. The direct synthesis of hydrogen peroxide using a combination of a hydrophobic solvent and water. Catalysis Science and Technology 10 (24) , pp. 8203-8212. 10.1039/D0CY01163K
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Al-Hetlani, Entesar, Amin, Mohamed O., Bezzu, C. Grazia and Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971 2020. Spirobifluorene-based polymers of intrinsic microporosity for the adsorption of methylene blue from wastewater: effect of surfactants. Royal Society Open Science 7 (9) , 200741. 10.1098/rsos.200741
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Al-Wattar, Eman 2020. kinetic and mechanistic studies of fading of fluorescent dyes and application in vital fields. PhD Thesis, Cardiff University.
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Alam, Syed Fakhar, Kim, Min-Zy, Kim, Young Jin, Rehman, Aafaq ur, Devipriyanka, Arepalli, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Yeo, Jeong-Gu, Lee, Jin-Seok, Kim, Hyunuk and Cho, Churl-Hee 2020. A new seeding method, dry rolling applied to synthesize SAPO-34 zeolite membrane for nitrogen/methane separation. Journal of Membrane Science 602 , 117825. 10.1016/j.memsci.2020.117825

Aldridge, James K., Smith, Louise R., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Carley, Albert F., Humphreys, Mandy, Clarke, Michael J., Wormald, Patricia, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Ambient temperature CO oxidation using palladium-platinum bimetallic catalysts supported on tin oxide/alumina. Catalysts 10 (11) , 1223. 10.3390/catal10111223
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Allender, Christopher J., Bowen, Jenna L. ORCID: https://orcid.org/0000-0003-1964-6832, Celorrio, Veronica, Davies-Jones, Josh A., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, O'Reilly, Padraic and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 2020. The role of growth directors in controlling the morphology of hematite nanorods. Nanoscale Research Letters 15 , 161. 10.1186/s11671-020-03387-w
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Alotaibi, Abdullah A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2020. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Zeitschrift für Kristallographie - New Crystal Structures 235 (4) , pp. 897-899. 10.1515/ncrs-2020-0088
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Alotaibi, Abdullah A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2020. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S?C3H7NO. Zeitschrift für Kristallographie - New Crystal Structures 235 (4) , pp. 915-917. 10.1515/ncrs-2020-0101
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Alotibi, Mohammed F., Abdel-Wahab, Bakr F., Yousif, Emad, Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2020. Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S. Zeitschrift für Kristallographie - New Crystal Structures 235 (2) , pp. 469-471. 10.1515/ncrs-2019-0776
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Alotibi, Mohammed F., Abdel-Wahab, Bakr F., Yousif, Emad, Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2020. Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O. Zeitschrift für Kristallographie - New Crystal Structures 235 (2) , pp. 479-481. 10.1515/ncrs-2019-0779
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Alshammari, Nadiyah and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2020. Theoretical study of copper binding to GHK peptide. Computational Biology and Chemistry 86 , 107265. 10.1016/j.compbiolchem.2020.107265
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Alvarez-Ruiz, D.T., Azough, F., Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Day, Sarah J. and Freer, R. 2020. The effect of nano-twins on the thermoelectric properties of Ga2O3(ZnO)m (m = 9, 11, 13 and 15) homologous compounds. Journal of the European Ceramic Society 40 (15) , pp. 5549-5558. 10.1016/j.jeurceramsoc.2020.07.021

Amakali, Theopolina, Daniel, Likius. S., Uahengo, Veikko, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Structural and optical properties of ZnO thin films prepared by molecular precursor and sol-gel methods. Crystals 10 (2) , -. 10.3390/cryst10020132
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Amri, Nasser and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2020. Automated electrochemical selenenylations. Synthesis 52 (12) , pp. 1751-1761. 10.1055/s-0039-1690868
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Ansari, Mohammad Hasan Dad, Lavhale, Santosh, Kalunke, Raviraj M., Srivastava, Prabhakar L. ORCID: https://orcid.org/0000-0002-8219-6419, Pandit, Vaibhav, Gade, Subodh, Yadav, Sanjay, Laux, Peter, Luch, Andreas, Gemmati, Donato, Zamboni, Paolo and Singh, Ajay Vikram 2020. Recent advances in plant nanobionics and nanobiosensors for toxicology applications. Current Nanoscience 16 (1) , pp. 27-41. 10.2174/1573413715666190409101305

Aparicio, Pablo A. ORCID: https://orcid.org/0000-0003-3719-7241 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Electronic structure, ion diffusion and cation doping in the Na4VO(PO4)2 compound as a cathode material for Na-ion batteries. Physical Chemistry Chemical Physics 22 (12) , pp. 6653-6659. 10.1039/C9CP05559B
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Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J. ORCID: https://orcid.org/0000-0002-2277-415X, Lopata, K., Ma, W., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Wolinski, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y. and Harrison, R. J. 2020. NWChem: Past, present, and future. Journal of Chemical Physics 152 (18) , 184102. 10.1063/5.0004997
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Argent, Stephen P., Jackson, Fiona C., Chan, Ho Man, Meyrick, Sam, Taylor, Christopher G. P., Ronson, Tanya K., Rourke, Jonathan P. ORCID: https://orcid.org/0000-0002-8961-1021 and Ward, Michael D. 2020. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces. Chemical Science 11 (37) , pp. 10167-10174. 10.1039/D0SC04347H
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Asghar, Aisha, Iqbal, Naseem, Aftab, Leena, Noor, Tayyaba, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Kidwell, Luke and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2020. Ethylenediamine loading into a manganese-based metal-organic framework enhances water stability and carbon dioxide uptake of the framework. Royal Society Open Science 7 (3) , 191934. 10.1098/rsos.191934
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Baer, Donald R., Artyushkova, Kateryna, Cohen, Hagai, Easton, Christopher D., Engelhard, Mark, Gengenbach, Thomas R., Greczynski, Grzegorz, Mack, Paul, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Roberts, Adam 2020. XPS guide: Charge neutralization and binding energy referencing for insulating samples. Journal of Vacuum Science and Technology A 38 (3) , 031204. 10.1116/6.0000057
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Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Heil, Tobias, Lobo, Richard Alvarez, Roberts, Christopher Simon, Titirici, Maria-Madgalena, Dunn, Steven and Kellici, Suela 2020. Continuous hydrothermal flow synthesis of blue-luminescent, excitation-independent nitrogen-doped carbon quantum dots as nanosensors. Journal of Materials Chemistry A 8 (6) , pp. 3270-3279. 10.1039/C9TA11781D
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Barlocco, Ilaria, Capelli, Sofia, Lu, Xiuyuan, Tumiati, Simone, Dimitratos, Nikolaos, Roldan, Alberto and Villa, Alberto 2020. Role of defects in carbon materials during metal-free formic acid dehydrogenation. Nanoscale 12 (44) , pp. 22768-22777. 10.1039/D0NR05774F
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Barlow, Victoria L., Lai, Shu-Jung, Chen, Chia-Yu, Tsai, Cheng-Han ORCID: https://orcid.org/0000-0003-0589-5088, Wu, Shih-Hsiung and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 2020. Effect of membrane fusion protein AdeT1 on the antimicrobial resistance of Escherichia coli. Scientific Reports 10 (1) , 20464. 10.1038/s41598-020-77339-w
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Barma, Sunil V., Rondiya, Sachin R., Jadhav, Yogesh A., Jathar, Sagar B., Rahane, Ganesh K., Rokade, Avinash, Cross, Russell W., Nasane, Mamta P., Jadkar, Vijaya, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Jadkar, Sandesh R. 2020. Structural, optoelectronic, and photoelectrochemical investigation of CdSe NC's prepared by hot injection method. ES Materials & Manufacturing 11 , pp. 50-56. 10.30919/esmm5f1040
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Basak, Shyam, Alvarez-Montoya, Ana, Winfrey, Laura, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 and Pulis, Alexander P. 2020. B(C6F5)3-catalyzed direct C3 alkylation of indoles and oxindoles. ACS Catalysis 10 (8) , pp. 4835-4840. 10.1021/acscatal.0c01141
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Baviskar, Prashant K., Rondiya, Sachin R., Patil, Girish P., Sankapal, Babasaheb R., Pathan, Habib M., Chavan, Padmakar G. and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. ZnO/CuSCN nano-heterostructure as a highly efficient field emitter: a combined experimental and theoretical investigation. ACS Omega 5 (12) , pp. 6715-6724. 10.1021/acsomega.0c00006
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Bemmer, Victoria, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Carter, James H., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Edwards, Lee E. ORCID: https://orcid.org/0000-0003-2200-9578, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan E., Robinson, Fiona, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Thomas, Matthew G. 2020. Rationalization of the X-ray photoelectron spectroscopy of aluminium phosphates synthesized from different precursors. RSC Advances 10 (14) , p. 84448452. 10.1039/C9RA08738A
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Bhorde, Ajinkya, Nair, Shruthi, Borate, Haribhau, Pandharkar, Subhash, Aher, Rahul, Punde, Ashvini, Waghmare, Ashish, Shinde, Pratibha, Vairale, Priti, Waykar, Ravindra, Doiphode, Vidya, Jadkar, Vijaya, Hase, Yogesh, Rondiya, Sachin, Patil, Nilesh, Prasad, Mohit and Jadkar, Sandesh 2020. Highly stable and Pb-free bismuth-based perovskites for photodetector applications. New Journal of Chemistry 44 (26) , pp. 11282-11290. 10.1039/D0NJ01806F

Bianchi, Flavia, Spitaler, Urban, Castellan, Irene, Cossu, Carlo S., Brigadoi, Timothy, Duménil, Claire, Angeli, Sergio, Robatscher, Peter, Vogel, Rudi F., Schmidt, Silvia and Eisenstecken, Daniela 2020. Persistence of a yeast-based (Hanseniaspora uvarum) attract-and-kill formulation against Drosophila suzukii on grape leaves. Insects 11 (11) , 810. 10.3390/insects11110810
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Biot, Nicolas and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. Concurring Chalcogen- and halogen-bonding interactions in supramolecular polymers for crystal engineering applications. Chemistry - A European Journal 26 (13) , pp. 2904-2913. 10.1002/chem.201904762
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Biot, Nicolas and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. Chalcogen-bond driven molecular recognition at work. Coordination Chemistry Reviews 413 , 213243. 10.1016/j.ccr.2020.213243
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Biot, Nicolas, Romito, Deborah and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. Substituent-controlled tailoring of chalcogen-bonded supramolecular nanoribbons in the solid state. Crystal Growth and Design 21 (1) , pp. 536-543. 10.1021/acs.cgd.0c01318
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Bischof, Tobias, Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709, Haddow, Mairi F. and Mansell, Stephen M. 2020. An indenide-tethered N-heterocyclic stannylene. Acta Crystallographica Section E 76 (2) , pp. 254-256. 10.1107/S205698902000047X
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Blackmore, Rachel H., Rivas, Maria Elena, Tierney, George F., Mohammed, Khaled M. H., Decarolis, Donato, Hayama, Shusaku, Venturini, Federica, Held, Georg, Arrigo, Rosa, Amboage, Monica, Hellier, Pip, Lynch, Evan, Amri, Mahrez, Casavola, Marianna, Eralp Erden, Tugce, Collier, Paul and Wells, Peter P. 2020. The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3. Physical Chemistry Chemical Physics 22 (34) , pp. 18774-18787. 10.1039/D0CP00793E
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Blundell, Toby J., Taylor, Laurence J., Valentine, Andrew J., Lewis, William, Blake, Alexander J., McMaster, Jonathan and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2020. A transition metal-gallium cluster formed: via insertion of "gaI". Chemical Communications 56 (58) , pp. 8139-8142. 10.1039/D0CC03559A

Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Thomas, Sophie, Klooster, Wim, Coles, Simon, Bourissou, Didier, Jenkins, Robert, Barone, Giampaolo and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2020. Carbon-Phosphorus coupling from C^N cyclometalated Au(III) complexes. Chemistry - A European Journal 26 (19) , pp. 4226-4231. 10.1002/chem.201905392
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Botchway, Cecil H., Tia, Richard, Adei, Evans, O'Malley, Alexander J., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Hernandez-Tamargo, Carlos and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Influence of topology and brønsted acid site presence on methanol diffusion in zeolites beta and MFI. Catalysts 10 (11) , 1342. 10.3390/catal10111342
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Botti, Luca 2020. Metal-incorporated beta zeolites: A versatile class of catalysts for continuous glucose upgrading. PhD Thesis, Cardiff University.
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Botti, Luca, Kondrat, Simon A., Navar, Ricardo, Padovan, Daniele, Martinez-Espin, Juan S., Meier, Sebastian and Hammond, Ceri 2020. Solvent‐activated hafnium‐containing zeolites enable selective and continuous glucose–fructose isomerisation. Angewandte Chemie International Edition 59 (45) , pp. 20017-20023. 10.1002/anie.202006718
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Bouleghlimat, Emir, Bethell, Donald and Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X 2020. The photocatalytic destruction of cinnamic acid and cinnamyl alcohol: mechanism and the effect of aqueous ions. Chemosphere 251 , 126469. 10.1016/j.chemosphere.2020.126469
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Bowker, M. ORCID: https://orcid.org/0000-0001-5075-1089 and Jones, W. 2020. Methanol photo-reforming with water on pure titania for hydrogen production. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200058. 10.1098/rsta.2020.0058
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Hellier, Pip, Decarolis, Donato, Gianolio, Diego, Mohammed, Khaled M. H., Stenner, Alex, Huthwelker, Thomas and Wells, Peter P. 2020. Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts. Physical Chemistry Chemical Physics 22 , pp. 18911-18918. 10.1039/D0CP01192D
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Klink, Björn Udo, Lass, Kristian and Bennett, Roger A. 2020. A simple angle-resolved thermal molecular beam reactor: applied to CO oxidation on Pt{110}. Catalysts 10 (11) , 1229. 10.3390/catal10111229
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Ruiz Esquius, Jonathan, Bahruji, Hasliza, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production. ChemCatChem 12 (23) , pp. 6024-6032. 10.1002/cctc.202000974
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Bracci, Maruan, Bruzzese, Paolo Cleto, Famulari, Antonino, Fioco, David ORCID: https://orcid.org/0000-0003-3714-2742, Guidetti, Andrea, Liao, Yu-Kai, Podvorica, Leonora, Rezayi, Seyedeh Fardokht, Serra, IIenia, Thangavel, Kavipriya and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 2020. Paramagnetic species in catalysis research: a unified approach towards (the role of EPR in) heterogeneous, homogeneous and enzyme catalysis. Chechik, Victor, Murphy, Damien M. and Bode, Bela E., eds. Electron Paramagnetic Resonance, Vol. 27. Royal Society of Chemistry, pp. 1-46. (10.1039/9781839162534-00001)

Bramley, Gabriel, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 2020. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of Chemical Theory and Computation 16 (4) , pp. 2703-2715. 10.1021/acs.jctc.0c00034

Brekalo, Ivana, Yuan, Wenbing, Mottillo, Cristina, Lu, Yuneng, Zhang, Yuancheng, Casaban, Jose, Holman, K. Travis, James, Stuart L., Duarte, Frédéric, Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Friscic, Tomislav 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8) 10.1039/C9SC05514B
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Cai, Rongsheng, Malta, Grazia, Haigh, Sarah J., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Freakley, Simon J. and Palmer, Richard E. 2020. Gas-phase deposition of gold nanoclusters to produce heterogeneous glycerol oxidation catalysts. ACS Applied Nano Materials 3 (6) , pp. 4997-5001. 10.1021/acsanm.0c01140
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Caiti, Massimiliano, Tarantino, Giulia and Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 2020. Developing a continuous process for isosorbide production from renewable sources. ChemCatChem 12 (24) , pp. 6393-6400. 10.1002/cctc.202001278
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Campisi, Sebastiano, Beevers, Cameron, Nasrallah, Ali, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Chan-Thaw, Carine e., Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Roldan, Alberto and Villa, Alberto 2020. DFT-assisted spectroscopic studies on the coordination of small ligands to palladium: from isolated ions to nanoparticles. Journal of Physical Chemistry C 124 (8) , pp. 4781-4790. 10.1021/acs.jpcc.9b09791
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Cantos, Paula M., Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 and Cahill, Christopher L. 2020. Correction: An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies. CrystEngComm 22 (29) , 4952. 10.1039/D0CE90092C
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Carden, Jamie L., Dasgupta, Ayan and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Halogenated triarylboranes: synthesis, properties and applications in catalysis. Chemical Society Reviews 49 (6) , pp. 1706-1725. 10.1039/C9CS00769E
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Casali, Emanuele, Kalra, Prakriti, Brochetta, Massimo, Borsari, Tania, Gandini, Andrea, Patra, Tuhin, Zanoni, Giuseppe and Maiti, Debabrata 2020. Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones. Chemical Communications 56 (53) , pp. 7281-7284. 10.1039/D0CC03172K

Caswell, Thomas, Dlamini, Mbongiseni W., Miedziak, Peter J., Pattisson, Samuel, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Enhancement in the rate of nitrate degradation on Au- and Ag-decorated TiO2 photocatalysts. Catalysis Science and Technology 10 (7) , pp. 2083-2091. 10.1039/C9CY02473E
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Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541, Davidson, Matthew, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Mulholland, Adrian 2020. Science to enable the circular economy. Philosophical Transactions of the Royal Society A: Mathematical Physical and Engineering Sciences 378 (2176) 10.1098/rsta.2020.0060
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Computational modelling as a tool in structural science. IUCrJ 7 (5) , pp. 778-779. 10.1107/S2052252520011793
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Wells, Peter and Gianolio, Diego 2020. Synchrotron radiation techniques in catalytic science. Physical Chemistry Chemical Physics 22 (34) , pp. 18745-18746. 10.1039/D0CP90186E
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Cattaneo, Stefano, Bonincontro, Danilo, Bere, Takudzwa, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Dimitratos, Nikolaos and Albonetti, Stefania 2020. Continuous flow synthesis of bimetallic AuPd catalysts for the selective oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid. ChemNanoMat 6 (3) , pp. 420-426. 10.1002/cnma.201900704
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Cerrato, Erik, Gonçalves, Nuno Paulo Ferreira, Calza, Paola and Paganini, Maria Cristina 2020. Comparison of the photocatalytic activity of ZnO/CeO2 and ZnO/Yb2O3 mixed systems in the phenol removal from water: a mechanicistic approach. Catalysts 10 (10) , 1222. 10.3390/catal10101222
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Cerrato, Erik and Paganini, Maria Cristina 2020. Mechanism of visible photon absorption: unveiling of the C3N4–ZnO photoactive interface by means of EPR spectroscopy. Materials Advances 1 (7) , pp. 2357-2367. 10.1039/D0MA00451K
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Cerrato, Erik, Paganini, Maria Cristina and Giamello, Elio 2020. Photoactivity under visible light of defective ZnO investigated by EPR spectroscopy and photoluminescence. Journal of Photochemistry and Photobiology A: Chemistry 397 , 112531. 10.1016/j.jphotochem.2020.112531

Cerrato, Erik, Zickler, Gregor A. and Paganini, Maria Cristina 2020. The role of Yb doped ZnO in the charge transfer process and stabilization. Journal of Alloys and Compounds 816 , 152555. 10.1016/j.jallcom.2019.152555

Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2020. Direct Z-scheme FeVO4/BiOCl heterojunction as a highly efficient visible-light-driven photocatalyst for photocatalytic dye degradation and Cr(VI) reduction. Nanotechnology 31 (14) , 145704. 10.1088/1361-6528/ab61d1

Chakraborty, Pritam, Agrawal, Kushagra and Kishore, Nanda 2020. Kinetic modeling of conversion of levulinic Acid to valeric acid in supercritical water using the density functional theory framework. Industrial & Engineering Chemistry Research 59 (41) 10.1021/acs.iecr.0c02807

Charles, Bethan, Weller, Mark T., Rieger, Sebastian, Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Henry, Paul F., Feldmann, Jochen, Wolverson, Daniel and Wilson, Chick C. 2020. Phase behavior and substitution limit of mixed cesium-formamidinium lead triiodide perovskites. Chemistry of Materials 32 (6) , pp. 2282-2291. 10.1021/acs.chemmater.9b04032
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Chen, Huanhao, Mu, Yibing, Xu, Shanshan, Xu, Shaojun, Hardacre, Christopher and Fan, Xiaolei 2020. Recent advances in non-thermal plasma (NTP) catalysis towards C1 chemistry. Chinese Journal of Chemical Engineering 28 (8) , pp. 2010-2021. 10.1016/j.cjche.2020.05.027

Chen, W., Luo, X., Ling, S., Zhou, Y., Shen, B., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Fernandes, J.A., Lin, T., Wang, J. and Shen, Y. 2020. Hemoglobin-derived Fe-Nx<-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction. Carbon 168 , pp. 588-596. 10.1016/j.carbon.2020.06.064

Chen, W., Luo, X., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Zhou, Y., Ling, S., Bao, R., Fernandes, J.A., Wang, J. and Shen, Y. 2020. General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process. Journal of Materials Chemistry A 8 (48) , pp. 25959-25969. 10.1039/d0ta08115a

Cheruiyot, Duncan, Midega, Charles A.O., Pittchar, Jimmy O., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Khan, Zeyaur R. 2020. Farmers' perception and evaluation of brachiaria Grass (brachiaria spp.) genotypes for smallholder cereal-livestock production in East Africa. Agriculture 10 (7) , 268. 10.3390/agriculture10070268
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Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2020. Direct c-s bond functionalization of benzyl mercaptan. European Journal of Organic Chemistry 2020 (25) , pp. 3906-3913. 10.1002/ejoc.202000521

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2020. Noncovalent interactions in C–S bond formation reactions. The Journal of Organic Chemistry 85 (19) , pp. 11997-12011. 10.1021/acs.joc.0c01534

Chumha, Nawapong, Pudkon, Watcharapong, Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Randorn, Chamnan, Inceesungvorn, Burapat, Ngamjarurojana, Athipong and Kaowphong, Sulawan 2020. Photocatalytic activity of CuInS2 nanoparticles synthesized via a simple and rapid microwave heating process. Materials Research Express 7 (1) , 015074. 10.1088/2053-1591/ab6885
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Chutia, Arunabhiram, Thetford, Adam, Stamatakis, Michail and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface. Physical Chemistry Chemical Physics 22 (6) , pp. 3620-3632. 10.1039/C9CP05476F
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Cooper, Anna, Davies, Thomas E., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stan ORCID: https://orcid.org/0000-0001-7980-8624 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2020. Influence of the preparation method of Ag-K/CeO2-ZrO2-Al2O3 catalysts on their structure and activity for the simultaneous removal of soot and NOx. Catalysts 10 (3) , -. 10.3390/catal10030294
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2020. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3. Physical Review B 101 (24) , 245133. 10.1103/PhysRevB.101.245133
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2020. Mott and pseudogap localization in pressurized NbO2. Physical Review B 102 (4) , 045142. 10.1103/PhysRevB.102.045142
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Craco, Luis and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2020. All-t2g electronic orbital reconstruction of monoclinic MoO2 battery material. Applied Sciences 10 (17) , 5730. 10.3390/app10175730
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Cresser-Brown, Joel, Rizkallah, Pierre ORCID: https://orcid.org/0000-0002-9290-0369, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Roth, Christian, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2020. An unexpected co-crystal structure of the calpain PEF(S) domain with Hfq reveals a potential chaperone function of Hfq. Acta Crystallographica Section F: Structural Biology Communications 76 (2) , pp. 81-85. 10.1107/S2053230X20001181
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Crole, David A., Underhill, Ricci, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Shaw, Greg, Freakley, Simon J., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Lewis, Richard J. 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd-Ni/TiO2 catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200062. 10.1098/rsta.2020.0062
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Crombie, Caitlin 2020. The selective oxidation of cyclohexane via the in-situ utilisation of H2O2. PhD Thesis, Cardiff University.
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Cross, Russell W. and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. First-principles mechanistic insights into the hydrogen evolution reaction on Ni2P electrocatalyst in alkaline medium. Catalysts 10 (3) , 307. 10.3390/catal10030307
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Cuenca, Jerome A. ORCID: https://orcid.org/0000-0003-1370-1167, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Snowball, Malcolm, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 2020. Dielectric spectroscopy of hydrogen treated hexagonal boron nitride ceramics. ACS Applied Electronic Materials 2 (5) , pp. 1193-1202. 10.1021/acsaelm.9b00767
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Dambatta, Mubarak B., Santos, Joseph, Bolt, Robert and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2020. Transition metal free α-C-alkylation of ketones using secondary alcohols. Tetrahedron 76 (45) , 131571. 10.1016/j.tet.2020.131571
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Dasgupta, Ayan, Babaahmadi, Rasool, Slater, Ben, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Borane-ctalyzed stereoselective C–H insertion, cyclopropanation, and ring-opening reactions. Chem 6 (9) , pp. 2364-2381. 10.1016/j.chempr.2020.06.035
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Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Triarylboran‐katalysierte Alkenylierungen von Arylestern mit Diazoverbindungen. Angewandte Chemie 132 (36) , pp. 15621-15626. 10.1002/ange.202007176
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Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 2020. Triarylborane-catalysed alkenylation reaction of aryl esters with diazo compounds. Angewandte Chemie International Edition 59 (36) , pp. 15492-15496. 10.1002/anie.202007176
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Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X and Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2020. Practical guide for x-ray photoelectron spectroscopy: applications to the study of catalysts. Journal of Vacuum Science and Technology A 38 (3) , 033204. 10.1116/1.5140747
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Day, Adam H., Ubler, Martin H., Best, Hannah L., Lloyd-Evans, Emyr ORCID: https://orcid.org/0000-0002-3626-1611, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830, Al-Wattar, Eman A. H., Keymer, Nathaniel I., Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2020. Targeted cell imaging properties of a deep red luminescent iridium(III) complex conjugated with a c-Myc signal peptide. Chemical Science 11 (6) , pp. 1599-1606. 10.1039/C9SC05568A
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Day, Adam H., Domarkas, Juozas, Nigam, Shubhanchi, Renard, Isaline, Cawthorne, Christopher, Burke, Benjamin P., Bahra, Gurmit S., Oyston, Petra C. F., Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, Archibald, Stephen J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2020. Towards dual SPECT/optical bioimaging with a mitochondrial targeting, 99mTc(i) radiolabelled 1,8-naphthalimide conjugate. Dalton Transactions 49 (2) , pp. 511-523. 10.1039/C9DT04024B
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De Freitas, I.C., Parreira, L.S., Barbosa, E.C.M., Novaes, B.A., Mou, T., Alves, T.V., Quiroz, J., Wang, Y.-C., Slater, T.J. ORCID: https://orcid.org/0000-0003-0372-1551, Thomas, A., Wang, B., Haigh, S.J. and Camargo, P.H.C. 2020. Design-controlled synthesis of IrO2 sub-monolayers on Au nanoflowers: Marrying plasmonic and electrocatalytic properties. Nanoscale 12 (23) , pp. 12281-12291. 10.1039/d0nr01875a
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De Visser, Sam P., Rourke, Jonathan P. ORCID: https://orcid.org/0000-0002-8961-1021 and Vincent, Kylie A. 2020. Inorganic reaction mechanisms. Dalton Transactions 49 (15) , pp. 4597-4598. 10.1039/D0DT90059A

Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Ferreira, Sabrina B., da Silva, Fernando de C., Ferreira, Vitor F. and Carneiro, José Walkimar de M. 2020. Hetero-Diels–Alder reactions of quinone methides: the origin of the α-regioselectivity of 3-methylene-1,2,4-naphthotriones. Journal of Organic Chemistry 85 (11) , pp. 7001-7013. 10.1021/acs.joc.0c00215

Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Quesne, Matthew G. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22 (12) , pp. 6660-6676. 10.1039/D0CP00032A
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Dervin, Daniel, O'Malley, A. J., Falkowska, Marta, Chansai, Sarayute, Silverwood, Ian P., Hardacre, Christopher and Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Probing the dynamics and structure of confined benzene in MCM-41 based catalysts. Physical Chemistry Chemical Physics 22 (20) , pp. 11485-11489. 10.1039/D0CP01196G
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Devlia, Jay, Smith, Louise, Douthwaite, Mark, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304 2020. The formation of methanol from glycerol bio-waste over doped ceria based catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200059. 10.1098/rsta.2020.0059
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Dlamini, Mbongiseni W., Phaahlamohlaka, Tumelo N., Kumi, David O., Forbes, Roy, Jewell, Linda L. and Coville, Neil J. 2020. Post doped nitrogen-decorated hollow carbon spheres as a support for Co Fischer-Tropsch catalysts. Catalysis Today 342 , pp. 99-110. 10.1016/j.cattod.2019.01.070
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Dordevic, Luka, Valentini, Cataldo, Demitri, Nicola, Meziere, Cecile, Allain, Magali, Sallé, Marc, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879, Mañas-Valero, Samuel, Coronado, Eugenio and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. O-doped nanographenes: a pyrano/pyrylium route towards semiconducting cationic mixed-valence complexes. Angewandte Chemie International Edition 59 (10) , pp. 4106-4114. 10.1002/anie.201914025
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Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Battisti, Tommaso, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Demitri, Nicola, Hughes, Colan E., Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29) , pp. 6608-6621. 10.1002/chem.201905794
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Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430 2020. Bn-doped Pi-conjugated materials: from monomeric to polymeric borazine arraysS. PhD Thesis, Cardiff University.
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Douthwaite, Mark, Powell, Natasha, Taylor, Aoife ORCID: https://orcid.org/0000-0002-1933-4874, Ford, Grayson, López, José Manuel, Solsona, Benjamin, Yang, Nating, Sanahuja-Parejo, Olga, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Garcia, Tomas and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2020. Glycerol selective oxidation to lactic acid over AuPt nanoparticles; enhancing reaction selectivity and understanding by support modification. ChemCatChem 12 (11) , pp. 3097-3107. 10.1002/cctc.202000026
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Dresselhaus, Thomas, Bungey, Callum B. A., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Manby, Frederick R. 2020. Coupling electrons and vibrations in molecular quantum chemistry. The Journal of Chemical Physics 153 (21) , 214114. 10.1063/5.0032900
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Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. First-principles insights into the interface chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) nanoparticles. ACS Omega 5 (2) 10.1021/acsomega.9b02736
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Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation. Physical Chemistry Chemical Physics 22 (3) 10.1039/C9CP03902C
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Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. CO2 and H2O coadsorption and reaction on the low-index surfaces of tantalum nitride: a first-principles DFT-D3 investigation. Catalysts 10 (10) , 1217. 10.3390/catal10101217
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Eaimsumang, Srisin, Chollacoop, Nuwong, Luengnaruemitchai, Apanee and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2020. Ceria nanorod supported gold nanoparticles as structured catalysts for the oxidative steam reforming of methanol: Effect of CTAB concentration on physiochemical properties and catalyst performance. Journal of Catalysis 392 , pp. 254-265. 10.1016/j.jcat.2020.10.023
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Eberlein, Lukas, Beierlein, Frank R., van Eikema Hommes, Nico J.R., Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755, Heil, Jochen, Benner, Steven A., Clark, Timothy, Kast, Stefan M. and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2020. Tautomeric equilibria of nucleobases in the hachimoji expanded genetic alphabet. Journal of Chemical Theory and Computation 16 (4) , pp. 2766-2777. 10.1021/acs.jctc.9b01079
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Edgar, Ross J.L., Elliott, Paul I.P., Fennessy, Rebecca V., Gabbutt, Christopher D., Heron, B. Mark, Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711, Sinopoli, Alessandro and Rice, Craig R. 2020. Inhibition of the photochromic behaviour of a 3,3-diphenyl-3H-pyrano[3,2-f]quinoline ligand by coordination to Ag(I) ions. Dyes and Pigments 175 , 108167. 10.1016/j.dyepig.2019.108167
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Edwards, Sion 2020. Modular metallodrug antimicrobials. PhD Thesis, Cardiff University.
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Eissa, N.G., Sayers, E.J. ORCID: https://orcid.org/0000-0002-2621-1119, Birch, D., Patel, S.G., Tsai, Y.-H. ORCID: https://orcid.org/0000-0003-0589-5088, Nielsen, H. Mørck and Jones, Arwyn ORCID: https://orcid.org/0000-0003-2781-8905 2020. EJP18 peptide derived from the juxtamembrane domain of epidermal growth factor receptor represents a novel membrane-active cell-penetrating peptide. Biochemical Journal 477 (1) , pp. 45-60. 10.1042/BCJ20190452
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El-Betany, Alaa M.M. ORCID: https://orcid.org/0000-0002-5990-1001, Kamoun, Elbadawy A., James, Craig ORCID: https://orcid.org/0000-0002-0569-182X, Jangher, Abdulhakim, Aljayyoussi, Ghaith, Griffiths, Peter, McKeown, Neil B. and Gumbleton, Mark ORCID: https://orcid.org/0000-0002-7386-311X 2020. Auto-fluorescent PAMAM-based dendritic molecules and their potential application in pharmaceutical sciences. International Journal of Pharmaceutics 579 , 119187. 10.1016/j.ijpharm.2020.119187
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Elliott, Mark C. ORCID: https://orcid.org/0000-0003-0132-0818 2020. How to succeed in organic chemistry. Oxford: Oxford University Press.

Elliott, Mark ORCID: https://orcid.org/0000-0003-0132-0818 2020. Laying the foundations, section 1 from Elliott: how to succeed in organic chemistry. Organic and Medicinal Chemistry, Oxford University Press, pp. 3-83.

Elsherbini, Mohamed, Huynh, Florence, Dunbabin, Alice, Allemann, Rudolf ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2020. Selective hydroboration - oxidation of terminal alkenes under flow conditions. Chemistry - A European Journal 26 (50) , pp. 11423-11425. 10.1002/chem.202001650
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Engel, Julien ORCID: https://orcid.org/0000-0002-1235-4784, Schwartz, Elise, Catlow, Richard Charles Arthur ORCID: https://orcid.org/0000-0002-1341-1541 and Roldan, Alberto 2020. The influence of oxygen vacancy position and Ce3+ ion localisation on the properties of small gold clusters supported on CeO2-x(111). Journal of Materials Chemistry A: materials for energy and sustainability 8 (31) , pp. 15193-16026. 10.1039/D0TA01398F
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Epshtein, Michael, Scutelnic, Valeriu, Yang, Zheyue, Xue, Tian, Vidal, Marta L., Krylov, Anna I., Coriani, Sonia and Leone, Stephen R. 2020. Table-top X-ray spectroscopy of benzene radical cation. The Journal of Physical Chemistry A 124 (46) , pp. 9524-9531. 10.1021/acs.jpca.0c08736

Evans, Christopher D., Douthwaite, Mark, Carter, James H., Pattisson, Samuel, Kondrat, Simon A., Bethell, Donald, Knight, David W., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO2 under alkaline conditions. Journal of Chemical Physics 152 (13) , 134705. 10.1063/1.5128595
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Evans, Arwyn, Cummings, Matthew, Decarolis, Donato, Gianolio, Diego, Shahid, Salman, Law, Gareth, Attfield, Martin, Law, David and Petit, Camille 2020. Optimisation of Cu+ impregnation of MOF-74 to improve CO/N2 and CO/CO2 separations. RSC Advances 10 (9) , pp. 5152-5162. 10.1039/C9RA10115B
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709 and Mansell, Stephen M. 2020. Frontispiece:functionalised N-heterocyclic carbene ligands in bimetallic architectures. Chemistry - A European Journal 26 (27) 10.1002/chem.202082762

Eya, Henry Igwebuike, Ntsoenzok, Esidor and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. First-principles investigation of the structural, elastic, electronic, and optical properties of α– and β–SrZrS3: implications for photovoltaic applications. Materials 13 (4) , 978. 10.3390/ma13040978
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Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Solovyeva, Olga S., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2020. Homologous series of flower phases in metal-organic networks on Au(111) surface. Journal of Physical Chemistry C 124 (21) , 11506–11515. 10.1021/acs.jpcc.0c02527

Farkaš, Barbara and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Towards a morphology of cobalt nanoparticles: size and strain effects. Nanotechnology 31 (19) , 195711. 10.1088/1361-6528/ab6fe0
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Farkaš, Barbara, Perry, Christopher B., Jones, Glenn and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Adsorbate-induced segregation of cobalt from PtCo nanoparticles: modeling Au doping and core AuCo alloying for the improvement of fuel cell cathode catalysts. Journal of Physical Chemistry C 124 (33) , pp. 18321-18334. 10.1021/acs.jpcc.0c04460
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Farkas, Barbara, Terranova, Umberto and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3) 10.1039/C9CP04485J
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Faulkner, Christopher, Santos-Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Plant, David F. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers. ACS Omega 5 (24) , pp. 14340-14353. 10.1021/acsomega.0c00813
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Forensi, Silvia, Stopin, Antoine, de Leo, Federica, Wouters, Johan and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. 1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays. Tetrahedron 76 (51) , 131299. 10.1016/j.tet.2020.131299
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Francis, Samantha 2020. A computational study of the stability and growth of Au clusters on MgO. PhD Thesis, Cardiff University.
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Freakley, Simon J., Agarwal, Nishtha, McVicker, Rebecca U., Althahban, Sultan, Lewis, Richard J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Dimitratos, Nikolaos, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Gold–palladium colloids as catalysts for hydrogen peroxide synthesis, degradation and methane oxidation: effect of the PVP stabiliser. Catalysis Science and Technology 10 (17) , pp. 5935-5944. 10.1039/D0CY00915F
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Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, David J. and Eslava, Salvador 2020. PrFeO 3 photocathodes prepared through spray pyrolysis. ChemElectroChem 7 (6) , pp. 1365-1372. 10.1002/celc.201902005
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Fresta, Elisa, Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Cabanillas-Gonzalez, Juan, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 and Costa, Rubén D. 2020. Revealing the impact of heat generation using nanographene-based light-emitting electrochemical cells. ACS Applied Materials and Interfaces 12 (25) , pp. 28426-28434. 10.1021/acsami.0c06783
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Gao, Sisi, Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755, Li, Wenbo, Liu, Huanting, Zhu, Wen, de Crécy-Lagard, Valérie, Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 and Naismith, James H. 2020. Uncovering the chemistry of C–C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chemical Communications 56 (55) , pp. 7617-7620. 10.1039/D0CC02834G
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García, Tomás, Sanahuja-Parejo, Olga, Veses, Alberto, López, José Manuel, Callén, María Soledad, Solsona, Benjamin, Richards, Nia and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2020. Insights into the production of upgraded biofuels using Mg-loaded mesoporous ZSM-5 zeolites. ChemCatChem 12 (20) , pp. 5236-5249. 10.1002/cctc.202000787
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Gasperini, Danila, King, Andrew K., Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Mahon, Mary F. and Webster, Ruth L. 2020. Seeking heteroatom-rich compounds: synthetic and mechanistic studies into Iron catalyzed dehydrocoupling of silanes. ACS Catalysis 10 (11) , pp. 6102-6112. 10.1021/acscatal.0c01440

Gazis, Theodore A., Willcox, Darren and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Lewis acidic boranes in frustrated Lewis pair chemistry. Frustrated Lewis Pairs, Vol. 2. Molecular Catalysis, pp. 209-235. (10.1007/978-3-030-58888-5_6)

Gazis, Theodore, Mohajeri Thaker, Bayan A. J., Willcox, Darren, Ould, Darren M. C., Wenz, Jan, Rawson, Jeremy M., Hill, Michael S., Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. 1,3-Carboboration of iodonium ylides. Chemical Communications 56 , pp. 3345-3348. 10.1039/C9CC08749D
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Gong, Xiaoxiao, Lewis, Richard J., Zhou, Song, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Liu, Xi, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Zong, Baoning and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Enhanced catalyst selectivity in the direct synthesis of H2O2 through Pt incorporation into TiO2 supported AuPd catalysts. Catalysis Science and Technology 10 (14) , pp. 4635-4644. 10.1039/D0CY01079K
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Greenaway, Alex G., Marberger, Adrian, Thetford, Adam, Lezcano-González, Inés, Agote-Arán, Miren, Nachtegaal, Maarten, Ferri, Davide, Kröcher, Oliver, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Beale, Andrew M. 2020. Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy. Chemical Science 11 (2) , pp. 447-455. 10.1039/C9SC04905C
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Guan, Shaoliang, Attard, Gary A. and Wain, Andrew J. 2020. Observation of substituent effects in the electrochemical adsorption and hydrogenation of alkynes on Pt{hkl} using SHINERS. ACS Catalysis 10 , pp. 10999-11010. 10.1021/acscatal.0c02967
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Hancock, James 2020. Spiropyran-based materials and MOF crystal imaging. MPhil Thesis, Cardiff University.
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Hardacre, Christopher, Beale, Andrew M., Gibson, Emma K., Goodall, Josephine B. M., Goguet, Alex, Kondrat, Simon A., Malta, Grazia, Stere, Cristina, Wells, Peter P., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Synchrotron radiation and catalytic science. Synchrotron Radiation News 33 (1) , pp. 10-14. 10.1080/08940886.2020.1701368
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Harding, Lindsay P., McRobbie, Asuka A. T., Riis-Johannessen, T., Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711, Rice, Craig R., Rollinson, Donna and Whitehead, Martina 2020. A rhenium(I) complex which reacts with aldehydes and ketones in aqueous media: a structural, spectroscopic and theoretical analysis. Journal of Chemical Research 44 (11-12) , pp. 733-737. 10.1177/1747519820917888
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Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310, Saarenmaa, Hannu, Casino, Ana, Dillen, Mathias, Gördderz, Karsten, Groom, Quentin, Hardy, Helen, Koureas, Dimitris, Nieva De La Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Paul, Deborah L, Runnel, Veljo, Vermeersch, Xavier, van Walsum, Myriam and Willemse, Luc 2020. Conceptual design blueprint for the DiSSCo digitization infrastructure - DELIVERABLE D8.1. Research Ideas and Outcomes 6 , e54280. 10.3897/rio.6.e54280
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Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2020. Digitising chemical synthesis in automated and robotic flow. Chemical Science 11 (44) , pp. 11973-11988. 10.1039/D0SC04250A
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Hardwick, Tomas, Cicala, Rossana, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2020. Memory of chirality in a room temperature flow electrochemical reactor. Scientific Reports 10 (1) , 16627. 10.1038/s41598-020-73957-6
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Hardwick, Tomas, Qurashi, Ahsanulhaq, Shirinfar, Bahareh and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2020. Interfacial photoelectrochemical catalysis: solar-induced green synthesis of organic molecules. ChemSusChem 13 (8) , pp. 1967-1973. 10.1002/cssc.202000032

Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Patterson, Rhian, Zhou, Yating and Collins, Stephen P. 2020. X-Ray Birefringence Imaging (XBI): a new technique for spatially resolved mapping of molecular orientations in materials. Sakamoto, Masami and Uekusa, Hidehiro, eds. Advances in Organic Crystal Chemistry: Comprehensive Reviews 2020, Springer, Singapore, pp. 3-27. (10.1007/978-981-15-5085-0_1)

Hassanain, Hawazen, Davies, E. Stephen, Lewis, William, Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 and Champness, Neil R. 2020. Morpholino-substituted BODIPY species: synthesis, structure and electrochemical studies. Crystals 10 (1) , 36. 10.3390/cryst10010036

Hassemer, Marla J., Lopes, Rogerio B., Borges, Miguel, Alves, Luis F.A., Withall, David M., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2020. Development of an attract-and-infect device for biological control of lesser mealworm, Alphitobius diaperinus (Coleoptera: Tenebrionidae) in poultry houses. Biological Control 149 , 104326. 10.1016/j.biocontrol.2020.104326
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Burgess, Ayrton J., Payne, Pollyanna and Wilson, Chick C 2020. From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows. CrystEngComm 22 , pp. 7475-7489. 10.1039/D0CE00898B
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Li, Wei, Payne, Pollyanna, Benyahia, Brahim, Rielly, Chris D. and Wilson, Chick C. 2020. Tuning morphology in active pharmaceutical ingredients: controlling the crystal habit of lovastatin through solvent choice and non-size-matched polymer additives. Crystal Growth and Design 20 (9) , pp. 5854-5862. 10.1021/acs.cgd.0c00470
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Warren, Mark R., Pallipurath, Anuradha R., Saunders, Lucy K. and Skelton, Jonathan M. 2020. Watching photochemistry happen: recent developments in dynamic single-crystal X-ray diffraction studies. 21st Century Challenges in Chemical Crystallography I, Vol. 185. Structure and Bonding, Springer-verlag, pp. 199-238. (10.1007/430_2020_78)

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Higham, Michael, Quesne, Matthew G. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Transactions 49 (25) , 8478–8497. 10.1039/D0DT00754D
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Hokamp, Tobias 2020. New Chiral Iodine(III) reagents for stereoselective synthesis. PhD Thesis, Cardiff University.
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Huang, Xiaoyang 2020. Investigations of interaction between gold and palladium in alcohol oxidation reactions. PhD Thesis, Cardiff University.
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Huynh, Florence, Tailby, Matthew, Finniear, Aled, Stephens, Kevin, Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2020. Accelerating biphasic biocatalysis through new process windows. Angewandte Chemie International Edition 59 (38) , pp. 16490-16495. 10.1002/anie.202005183
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Huynh, Florence 2020. Efficient chemoenzymatic synthesis of terpenes. PhD Thesis, Cardiff University.
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Ismaila, Ammaru, Chen, Huanhao, Shao, Yan, Xu, Shaojun, Jiao, Yilai, Chen, Xueli, Gao, Xin and Fan, Xiaolei 2020. Renewable hydrogen production from steam reforming of glycerol (SRG) over ceria-modified γ-alumina supported Ni catalyst. Chinese Journal of Chemical Engineering 28 (9) , pp. 2328-2336. 10.1016/j.cjche.2020.06.025

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Jiang, Shi, Muller, Eric, Jerôme, François, Pera-Titus, Marc and De Oliveira Vigier, Karine 2020. Conversion of furfural to tetrahydrofuran-derived secondary amines under mild conditions. Green Chemistry 22 (6) , pp. 1832-1836. 10.1039/D0GC00119H

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Jiao, Yilai, Forster, Luke, Xu, Shaojun, Chen, Huanhao, Han, Jingfeng, Liu, Xuqing, Zhou, Yangtao, Liu, Jinmin, Zhang, Jinsong, Yu, Jihong, D'Agostino, Carmine and Fan, Xiaolei 2020. Creation of Al‐enriched mesoporous ZSM‐5 nanoboxes with high catalytic activity: converting tetrahedral extra‐framework Al into framework sites by post treatment. Angewandte Chemie International Edition 59 (44) , pp. 19478-19486. 10.1002/anie.202002416
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Lu, Xiuyuan, Francis, Samantha, Motta, Davide, Dimitratos, Nikolaos and Roldan, Alberto 2020. Mechanistic study of hydrazine decomposition on Ir(111). Physical Chemistry Chemical Physics 22 (7) , pp. 3883-3896. 10.1039/C9CP06525C
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Luo, Z., Ji, C., Yin, L., Zhu, G., Xu, B.B., Wang, Y., Liu, T.X., Zhuge, X. and Luo, K. 2020. A Ga-Sn liquid metal-mediated structural cathode for Li-O2 batteries. Materials Today Energy 18 , 100559. 10.1016/j.mtener.2020.100559

Magagna, Barbara, Martin, Paul, Nieva de la Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Atkinson, Malcolm and Zhao, Zhiming Zhao, Zhiming, ed. 2020. Common challenges and requirements. Springer Verlag. 10.1007/978-3-030-52829-4_3
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Mardle, Peter, Ji, Xiaochao, Wu, Jing, Guan, Shaoliang, Dong, Hanshan and Du, Shangfeng 2020. Thin film electrodes from Pt nanorods supported on aligned N-CNTs for proton exchange membrane fuel cells. Applied Catalysis B: Environmental 260 , 118031. 10.1016/j.apcatb.2019.118031
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Mora-Fonz, David, Schön, J. Christian, Prehl, Janett, Woodley, Scott M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Shluger, Alexander L. and Sokol, Alexey A. 2020. Real and virtual polymorphism of titanium selenide with robust interatomic potentials. Journal of Materials Chemistry A 8 (28) , pp. 14054-14061. 10.1039/D0TA03667F
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Mordovina, Uliana, Bungey, Callum, Appel, Heiko, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Rubio, Angel and Manby, Frederick R. 2020. Polaritonic coupled-cluster theory. Physical Review Research 2 (2) , 023262. 10.1103/PhysRevResearch.2.023262
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Morteo Flores, Fabian, Engel, Julien ORCID: https://orcid.org/0000-0002-1235-4784 and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2020. Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200056. 10.1098/rsta.2020.0056
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Mu, Yibing, Xu, Shaojun, Shao, Yan, Chen, Huanhao, Hardacre, Christopher and Fan, Xiaolei 2020. Kinetic study of nonthermal plasma activated catalytic CO2 hydrogenation over Ni supported on silica catalyst. Industrial & Engineering Chemistry Research 59 (20) , pp. 9478-9487. 10.1021/acs.iecr.0c01477

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2020. Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants. Heliyon 6 (1) , e03071. 10.1016/j.heliyon.2019.e03071
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Nanda, Kaushik D., Vidal, Marta L., Faber, Rasmus, Coriani, Sonia and Krylov, Anna I. 2020. How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core–valence separation. Physical Chemistry Chemical Physics 22 (5) , pp. 2629-2641. 10.1039/C9CP03688A

Naqvi, Syed Tayyab Raza, Rasheed, Tahir, Hussain, Dilshad, Najam ul Haq, Muhammad, Majeed, Saadat, shafi, Sameera, Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 and Nawaz, Rahat 2020. Modification strategies for improving the solubility/dispersion of carbon nanotubes. Journal of Molecular Liquids 297 , 111919. 10.1016/j.molliq.2019.111919

Nasir, Jamal Abdul, Rehman, Zia ur, Shah, Syed Niaz Ali, Khan, Azam, Butler, Ian S. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Recent developments and perspectives in CdS-based photocatalysts for water splitting. Journal of Materials Chemistry A 8 (40) , pp. 20752-20780. 10.1039/D0TA05834C
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Nasrallah, Ali 2020. Au & Pd surfaces: From capping agents to methane oxidation. PhD Thesis, Cardiff University.
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Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2020. Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations. ACS Catalysis 10 , pp. 8904-8915. 10.1021/acscatal.0c01454
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Nguyen, T.S., McKeever, P., Arredondo-Arechavala, M., Wang, Y.-C., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Haigh, S.J., Beale, A.M. and Thompson, J.M. 2020. Correlation of the ratio of metallic to oxide species with activity of PdPt catalysts for methane oxidation. Catalysis Science and Technology 10 (5) , pp. 1408-1421. 10.1039/c9cy02371b

Nicholson, William I., Seastram, Alex C., Iqbal, Saqib A., Reed-Berendt, Benjamin G., Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2020. N-Heterocyclic carbene acyl anion organocatalysis by ball-milling. ChemSusChem 13 (1) , pp. 131-135. 10.1002/cssc.201902346
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Nieva De La Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310, Martin, Paul, Magagna, Barbara and Zhao, Zhiming 2020. The ENVRI reference model. Zhao, Zhiming and Hellström, Margareta, eds. Towards Interoperable Research Infrastructures for Environmental and Earth Sciences - A Reference Model Guided Approach for Common Challenges, Lecture Notes in Computer Science, vol. 12003. Cham, Switzerland: Springer Professional, pp. 61-81.
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Nieva de la Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Rosin, Paul L. ORCID: https://orcid.org/0000-0002-4965-3884, Sun, Xianfang ORCID: https://orcid.org/0000-0002-6114-0766, Bogaerts, Ann, De Meeter, Niko, De Smedt, Sofie, Strack van Schijndel, Maarten, Van Wambeke, Paul and Groom, Quentin 2020. Designing an herbarium digitisation workflow with built-in image quality management. Biodiversity Data Journal 8 , e47051. 10.3897/BDJ.8.e47051
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Nödling, Alexander, Mills, Emily M., Li, Xuefei, Cardella, Davide, Sayers, Edward J. ORCID: https://orcid.org/0000-0002-2621-1119, Wu, Shih-Hsiung, Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 2020. Cyanine dye mediated mitochondrial targeting enhances the anti-cancer activity of small-molecule cargoes. Chemical Communications 56 (34) , pp. 4672-4675. 10.1039/C9CC07931A
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Nödling, Alexander R., Santi, Nicolò ORCID: https://orcid.org/0000-0001-6361-5457, Williams, Thomas L., Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2020. Enabling protein-hosted organocatalytic transformations. RSC Advances 10 (27) , pp. 16147-16161. 10.1039/D0RA01526A
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Noh, Woo Yeong, Kim, Eun Mi, Kim, Kwang Young, Kim, Jin Hyun, Jeong, Hu Young, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Lee, Geunsik, Jang, Ji-Wook, Joo, Sang Hoon and Lee, Jae Sung 2020. Immobilizing single atom catalytic sites onto highly reduced carbon hosts: Fe–N4/CNT as a durable oxygen reduction catalyst for Na–air batteries. Journal of Materials Chemistry A: materials for energy and sustainability 8 (36) , pp. 18891-18902. 10.1039/D0TA06489K

Nolla-Saltiel, Roberto, Geer, Ana M., Taylor, Laurence J., Churchill, Olivia, Davies, E. Stephen, Lewis, William, Blake, Alexander J. and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2020. Hydrophosphination of activated alkenes by a cobalt(I) pincer complex. Advanced Synthesis and Catalysis 362 (15) , pp. 3148-3157. 10.1002/adsc.202000514

Nori, Valeria, Dasgupta, Ayan, Babaahmadi, Rasool, Carlone, Armando, Ariafard, Alireza and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 2020. Triarylborane catalysed n-alkylation of amines with aryl esters. Catalysis Science and Technology 10 , pp. 7523-7530. 10.1039/D0CY01339K
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O'Malley, Alexander J., García Sakai, Victoria, Dimitratos, Nikolaos, Jones, Wilm, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Parker, Stewart F. 2020. Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200063. 10.1098/rsta.2020.0063
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O'Malley, Alexander J., Logsdail, A. J. ORCID: https://orcid.org/0000-0002-2277-415X, Sokol, A. A. and Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts. Faraday Discussions 188 , pp. 235-255. 10.1039/C6FD00010J
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Oberkofler, Jens, Aikman, Brech, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Pöthig, Alexander, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Kühn, Fritz E. 2020. Exploring the reactivity and biological effects of heteroleptic N-Heterocyclic carbene gold(I)-Alkynyl complexes. European Journal of Inorganic Chemistry 2020 (11-12) , pp. 1040-1051. 10.1002/ejic.201901043
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Odeke, Bonaventure A., Chung, Gyang D., Fajemisin, Jesutofunmi A., Suraj, Kabir S., Tonui, Denis K., Tobi, Ayinla R., Bewaale, Thomas C., Ajibola, Jamiu A. and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2020. Electronic structure and surface properties of copper thiocyanate: a promising hole transport material for organic photovoltaic cells. Materials 13 (24) , 5765. 10.3390/ma13245765
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Olsson, Emilia, Cottom, Jonathon, Aparicio-Anglès, Xavier and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Combined density functional theory and molecular dynamics study of Sm0.75A0.25Co1-xMnxO2.88 (A = Ca, Sr; x = 0.125, 0.25) cathode material for next generation solid oxide fuel cell. Physical Chemistry Chemical Physics 22 (2) , pp. 692-699. 10.1039/C9CP04892H
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Oropeza, Freddy E., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Pons-Martí, Amalia, Yang, Zhenni, Zhang, Kelvin H. L., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Hensen, Emiel J. M. and Hofmann, Jan P. 2020. Electronic structure and interface energetics of CuBi2O4 photoelectrodes. Journal of Physical Chemistry C 124 (41) , pp. 22416-22425. 10.1021/acs.jpcc.0c08455
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Ouaray, Zahra, Benner, Steven A., Georgiadis, Millie M. and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2020. Building better polymerases: Engineering the replication of expanded genetic alphabets. Journal of Biological Chemistry 295 (50) , pp. 17046-17059. 10.1074/jbc.REV120.013745
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Ouaray, Zahra, Singh, Isha, Georgiadis, Millie M. and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2020. Building better enzymes: molecular basis of improved non-natural nucleobase incorporation by an evolved DNA polymerase. Protein Science 29 (2) 10.1002/pro.3762
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Ould, Darren M. C., Carden, Jamie L., Page, Rowan and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Synthesis and reactivity of fluorinated triaryl aluminum complexes. Inorganic Chemistry 59 (20) , pp. 14891-14898. 10.1021/acs.inorgchem.0c01076
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Ould, Darren 2020. Synthesis, structure and reactivity of phosphorus and arsenic heterocycles. PhD Thesis, Cardiff University.
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Ould, Darren and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 2020. Diazaphospholene and diazaarsolene derived homogeneous catalysis. Chemistry - A European Journal 26 (44) , pp. 9835-9845. 10.1002/chem.202001734
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Paris, Charlie, Karelovic, Alejandro, Manrique, Raydel, Le Bras, Solène, Devred, François, Vykoukal, Vit, Styskalik, Ales, Eloy, Pierre and Debecker, Damien P. 2020. CO2 hydrogenation to methanol with Ga‐ and Zn‐doped mesoporous Cu/SiO2 catalysts prepared by the aerosol‐assisted sol‐gel process. ChemSusChem 13 (23) , pp. 6409-6417. 10.1002/cssc.202001951

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Parmentier, Tanja 2020. Carbon supported precious metal-based single metal site heterogeneous catalysts. PhD Thesis, Cardiff University.
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Parmezan, Talitta Regina, Brito Júnior, Salvador Lima, Carvalho, Kenia de, Aquino, Moisés de, Birkett, Michael, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Nunes, Estela de Oliveira, Abdelnor, Ricardo Vilela, Campo, Clara Beatriz Hoffmann and Marcelino-Guimarães, Francismar Corrêa 2020. Transcriptional profile of genes involved in the production of terpenes and glyceollins in response to biotic stresses in soybean. Genetics and Molecular Biology 43 (4) , e20190388. 10.1590/1678-4685-gmb-2019-0388
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Patra, Tuhin, Bellotti, Peter, Strieth-Kalthoff, Felix and Glorius, Frank 2020. Photosensitized intermolecular carboimination of alkenes through the persistent radical effect. Angewandte Chemie International Edition 59 (8) , pp. 3172-3177. 10.1002/anie.201912907
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Patterson, Rhian 2020. Development and applications of X-ray Birefringence Imaging. PhD Thesis, Cardiff University.
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Pattisson, Samuel, Rogers, Owen, Whiston, Keith, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Low temperature solvent-free allylic oxidation of cyclohexene using graphitic oxide catalysts. Catalysis Today 357 , pp. 3-7. 10.1016/j.cattod.2019.04.053
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Payard, Pierre-Adrien, Finidori, Céline, Guichard, Laurélia, Cartigny, Damien, Corbet, Matthieu, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Rational optimization of lewis-acid catalysts for direct alcohol amination, part 2 - titanium triflimide as new active catalyst. European Journal of Organic Chemistry 2020 (22) , pp. 3225-3228. 10.1002/ejoc.202000413

Payard, Pierre-Adrien, Finidori, Céline, Guichard, Laurélia, Cartigny, Damien, Corbet, Matthieu, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Rational pptimization of lewis-acid catalysts for the direct amination of alcohols, part 1 - activity descriptors for metal triflates and triflimides. European Journal of Organic Chemistry 2020 (22) , pp. 3219-3224. 10.1002/ejoc.202000229

Payard, Pierre-Adrien, Zheng, Yu-Ting, Zhou, Wen-Juan, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Iron triflate salts as highly active catalysts for the solvent-free oxidation of cyclohexane. European Journal of Organic Chemistry 2020 (24) , pp. 3552-3559. 10.1002/ejoc.202000263

Pezzetta, Cristofer 2020. Development of novel synthetic methodologies in photocatalysis. PhD Thesis, Cardiff University.
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Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Kumi, David O., Forbes, Roy, Jewell, Linda L. and Coville, Neil J. 2020. Co inside hollow carbon spheres as a Fischer-Tropsch catalyst: spillover effects from Ru placed inside and outside the HCS. Applied Catalysis A: General 599 , 117617. 10.1016/j.apcata.2020.117617
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Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2020. Quantum chemical molecular dynamics and metadynamics simulation of aluminium binding to amyloid-β and related peptides. Royal Society Open Science 7 (2) , -. 10.1098/rsos.191562
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Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Baker, Robert J. 2020. A computational investigation of orbital overlap versus energy degeneracy covalency in [UE2]2+ (E = O, S, Se, Te) complexes. Dalton Transactions 49 (4) 10.1039/C9DT04484A
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Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799, Lee, Hae Eun, Gonzalez-Montiel, Gisela A., Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2020. Highly chemoselective esterification from O-aminoallylation of carboxylic acids: metal- and reagent-free hydrocarboxylation of allenamides. Chemistry - A European Journal 26 (61) , pp. 13826-13831. 10.1002/chem.202000778

Prado, Anselmo, González-Rodríguez, David and Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 2020. Functional systems derived from nucleobase self-assembly. ChemistryOpen 9 (4) , pp. 409-430. 10.1002/open.201900363
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Pramanik, Milan, Choudhuri, Khokan, Chakraborty, Subhayan, Ghosh, Arindam and Mal, Prasenjit 2020. (Z)-Selective anti-Markovnikov or Markovnikov thiol–yne-click reactions of an internal alkyne by amide hydrogen bond control. Chemical Communications 56 (20) , pp. 2991-2994. 10.1039/D0CC00702A

Pramanik, Milan, Choudhuri, Khokan and Mal, Prasenjit 2020. Metal-free C–S coupling of thiols and disulfides. Organic and Biomolecular Chemistry 18 (43) , pp. 8771-8792. 10.1039/D0OB01741H

Pramanik, Milan, Choudhuri, Khokan, Mathuri, Ashis and Mal, Prasenjit 2020. Dithioacetalization or thioetherification of benzyl alcohols using 9-mesityl-10-methylacridinium perchlorate photocatalyst. Chemical Communications 56 (70) 10.1039/D0CC02352C

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Pudkon, Watcharapong, Bahruji, Hasliza, Miedziak, Peter J., Davies, Thomas E., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Pattisson, Samuel, Kaowphong, Sulawan and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Enhanced visible-light-driven photocatalytic H2 production and Cr(vi) reduction of a ZnIn2S4/MoS2 heterojunction synthesized by the biomolecule-assisted microwave heating method. Catalysis Science and Technology 10 (9) , pp. 2838-2854. 10.1039/D0CY00234H
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Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755 and Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 2020. Characterizing human odorant signals: insights from insect semiochemistry and in silico modelling. Philosophical Transactions B: Biological Sciences 375 (1800) , 20190263. 10.1098/rstb.2019.0263
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Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755, Zhu, Wen, Coricello, Adriana, Alcaro, Stefano and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2020. Improving the treatment of acute lymphoblastic leukemia. Biochemistry 59 (35) , pp. 3193-3200. 10.1021/acs.biochem.0c00354
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Rahane, Ganesh K., Jathar, Sagar B., Rondiya, Sachin R., Jadhav, Yogesh A., Barma, Sunil V., Rokade, Avinash, Cross, Russell W., Nasane, Mamta P., Jadkar, Vijaya, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Jadkar, Sandesh R. 2020. Photoelectrochemical investigation on the cadmium sulfide (CdS) thin films prepared using spin coating technique. ES Materials & Manufacturing 11 , pp. 57-64. 10.30919/esmm5f1041
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Raynbird, Marina Y., Sampson, Joanne B., Smith, Dan A., Forsyth, Siân M., Moseley, Jonathan D. and Wells, Andrew S. 2020. Ketone reductase biocatalysis in the synthesis of chiral intermediates toward generic active pharmaceutical ingredients. Organic Process Research and Development 24 (6) , pp. 1131-1140. 10.1021/acs.oprd.0c00120
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Raynbird, Marina Yamamoto, Silva, Filipa, Smallman, Harry, Khokhar, Shaista S., Neef, Daniel, Evans, Gareth J. S. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2020. Short total synthesis of ajoene, (E ,Z )‐4,5,9‐Trithiadodeca‐1,6,11‐triene 9‐oxide, in batch and (E ,Z )‐4,5,9‐Trithiadodeca‐1,7,11‐triene in continuous flow. Chemistry - A European Journal 26 (38) , pp. 8363-8367. 10.1002/chem.202001598
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Raynbird, Marina 2020. Synthesis of sulfur-containing derivatives based on garlic metabolites and their biological activities. PhD Thesis, Cardiff University.
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Raza Naqvi, Sayed Tayyab, Rasheed, Tahir, Majeed, Saadat, Hussain, Dilshad, Fatima, Batool, Najam ul Haq, Muhammad, Nawaz, Rahat, Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 and Noon, Tubshir 2020. Nitrogen doped carbon quantum dots conjugated with AgNi alloy nanoparticles as potential electrocatalyst for efficient water splitting. Journal of Alloys and Compounds 847 , 156492. 10.1016/j.jallcom.2020.156492

Reed-Berendt, Benjamin 2020. New frontiers in borrowing hydrogen catalysis. PhD Thesis, Cardiff University.
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Reed-Berendt, Benjamin G., Mast, Nicolas and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2020. Manganese-catalyzed one-pot conversion of nitroarenes into N-methylarylamines uising methanol. European Journal of Organic Chemistry 2020 (9) , pp. 1136-1140. 10.1002/ejoc.201901854
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Ren, Bingzhi, Lu, Jianwei, Wang, Yucheng, Gu, Xingxing, Xu, Ben Bin, Fu, Yongqing, Luo, Kun, Bayati, Maryam and Liu, Terence Xiaoteng 2020. Half-sphere shell supported Pt catalyst for electrochemical methanol xxidation. Journal of The Electrochemical Society 167 (8) , 084510. 10.1149/1945-7111/ab8dde

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Wang, Sheng, Lewis, Richard J., Doronkin, Dmitry E., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Grunwaldt, Jan-Dierk, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Behrens, Silke 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd–Ga and Pd–In catalysts. Catalysis Science and Technology 10 , pp. 1925-1932. 10.1039/C9CY02210D
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Waykar, Ravindra, Bhorde, Ajinkya, Nair, Shruthi, Pandharkar, Subhash, Gabhale, Bharat, Aher, Rahul, Rondiya, Sachin, Waghmare, Ashish, Doiphode, Vidya, Punde, Ashvini, Vairale, Priti, Prasad, Mohit and Jadkar, Sandesh 2020. Environmentally stable lead-free cesium bismuth iodide (Cs3Bi2I9) perovskite: Synthesis to solar cell application. Journal of Physics and Chemistry of Solids 146 , 109608. 10.1016/j.jpcs.2020.109608

Weeks, E. N. I., Logan, J. G., Birkett, M. A., Caulfield, J. C., Gezan, S. A., Welham, S. J., Brugman, V. A., Pickett, J. A. ORCID: https://orcid.org/0000-0002-1008-6595 and Cameron, M. M. 2020. Electrophysiologically and behaviourally active semiochemicals identified from bed bug refuge substrate. Scientific Reports 10 (1) , 4590. 10.1038/s41598-020-61368-6
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Werner, Hans-Joachim, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Manby, Frederick R., Black, Joshua A., Doll, Klaus, Heßelmann, Andreas, Kats, Daniel, Köhn, Andreas, Korona, Tatiana, Kreplin, David A., Ma, Qianli, Miller, Thomas F., Mitrushchenkov, Alexander, Peterson, Kirk A., Polyak, Iakov ORCID: https://orcid.org/0000-0002-2894-0657, Rauhut, Guntram and Sibaev, Marat 2020. The Molpro quantum chemistry package. The Journal of Chemical Physics 152 (14) , 144107. 10.1063/5.0005081
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Westphal, Regina, de Souza Pina, Jorge Welton, Franco, Juliana Panceri, Ribeiro, Josimar, Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Fiorot, Rodolfo Goetze, de Mesquita Carneiro, José Walkimar and Greco, Sandro José 2020. Synthesis and evaluation of corrosion inhibiting activity of new molecular hybrids containing the morpholine, 1,4-naphthoquinone, 7-chloroquinoline and 1,3,5-triazine cores. Advances in Chemical Engineering and Science 10 (4) , pp. 378-398. 10.4236/aces.2020.104024
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Willcox, Darren, Carden, Jamie L., Ruddy, Adam J., Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2020. Asymmetric ketone hydroboration catalyzed by alkali metal complexes derived from BINOL ligands. Dalton Transactions 49 (8) , pp. 2417-2420. 10.1039/D0DT00232A
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Williams, Matthew T. J., Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. 2020. Expedient organocatalytic Aza-Morita–Baylis–Hillman reaction through ball-milling. ACS Sustainable Chemistry and Engineering 8 (48) , pp. 17876-17881. 10.1021/acssuschemeng.0c07320
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Wilson, Andrew S. S., Dinoi, Chiara, Hill, Michael S., Mahon, Mary F., Maron, Laurent and Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 2020. Calcium hydride reduction of polycyclic aromatic hydrocarbons. Angewandte Chemie International Edition 59 (3) , pp. 1232-1237. 10.1002/anie.201913895
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Winterson, Bethan and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2020. Electrochemistry in flow for drug discovery. Topics in Medicinal Chemistry, Vol. 38. Springer, pp. 121-172. (10.1007/7355_2021_115)

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Amri, Nasser 2020. Accelerating electrochemical synthesis through automated flow: efficient synthesis of chalcogenophosphites. SYNLETT 31 (19) , pp. 1894-1898. 10.1055/s-0040-1707141
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Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Hokamp, Tobias 2020. Hypervalent iodine(III)‐catalysed enantioselective α‐acetoxylation of ketones. Chemistry - A European Journal 26 (46) , pp. 10417-10421. 10.1002/chem.202000927
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Woodley, Scott M., Day, Graeme M. and Catlow, R. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Structure prediction of crystals, surfaces and nanoparticles. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2186) , 20190600. 10.1098/rsta.2019.0600
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Wragg, Darren, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 and Casini, Angela 2020. Aquaporin-driven hydrogen peroxide transport: a case of molecular mimicry? RSC Chemical Biology 1 (5) , pp. 390-394. 10.1039/D0CB00160K
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Wu, Longfei, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Chen, Ning, van Dijk, Bas, Balasubramanyam, Shashank, Sharma, Akhil, Gao, Lu, Hetterscheid, Dennis G. H., Hensen, Emiel J. M., Bol, Ageeth A., De Leeuw, Nora H. and Hofmann, Jan P. 2020. Cu electrodeposition on nanostructured MoS2 and WS2 and implications for HER active site determination. Journal of The Electrochemical Society 167 (11) , 116517. 10.1149/1945-7111/aba5d8
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Xie, Bingqiao, Wong, Roong Jien, Tan, Tze Hao, Higham, Michael, Gibson, Emma K., Decarolis, Donato, Callison, June, Aguey-Zinsou, Kondo-Francois, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Scott, Jason and Amal, Rose 2020. Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina. Nature Communications 11 , 1615. 10.1038/s41467-020-15445-z
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Xu, Shanshan, Chansai, Sarayute, Xu, Shaojun, Stere, Cristina E., Jiao, Yilai, Yang, Sihai, Hardacre, Christopher and Fan, Xiaolei 2020. CO poisoning of Ru catalysts in CO2 hydrogenation under thermal and plasma conditions: a combined kinetic and diffuse reflectance infrared fourier transform spectroscopy–mass spectrometry study. ACS Catalysis 10 (21) , pp. 12828-12840. 10.1021/acscatal.0c03620

Xu, Shanshan, Chansai, Sarayute, Shao, Yan, Xu, Shaojun, Wang, Yi-chi, Haigh, Sarah, Mu, Yibing, Jiao, Yilai, Stere, Cristina E., Chen, Huanhao, Fan, Xiaolei and Hardacre, Christopher 2020. Mechanistic study of non-thermal plasma assisted CO2 hydrogenation over Ru supported on MgAl layered double hydroxide. Applied Catalysis B: Environmental 268 , 118752. 10.1016/j.apcatb.2020.118752
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Yan, Yuncheng, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2020. Polymorphism in a multicomponent crystal system of trimesic acid and t-butylamine. Crystal Growth and Design 20 (9) , pp. 5736-5744. 10.1021/acs.cgd.0c00163
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Yang, Bingyu, Douyère, Grégory, Leclercq, Loïc, Nardello-Rataj, Véronique and Pera-Titus, Marc 2020. One-pot oxidative cleavage of cyclic olefins for the green synthesis of dicarboxylic acids in Pickering emulsions in the presence of acid phosphate additives. Catalysis Science and Technology 10 (19) , pp. 6723-6728. 10.1039/D0CY01225D

Yang, Huaqin, Ingen, Yara, Blom, Burgert, Rastogi, Sanjay and Romano, Dario 2020. Structural modification of phenoxyimine titanium complexes and activation studies with alkylaluminum compounds. ChemCatChem 12 (20) , pp. 5209-5220. 10.1002/cctc.202000731
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Yao, Benzhen, Xiao, Tiancun, Makgae, Ofentse A., Jie, Xiangyu, Gonzalez-Cortes, Sergio, Guan, Shaoliang, Kirkland, Angus I., Dilworth, Jonathan R., Al-Megren, Hamid A., Alshihri, Saeed M., Dobson, Peter J., Owen, Gari P., Thomas, John M. and Edwards, Peter P. 2020. Transforming carbon dioxide into jet fuel using an organic combustion-synthesized Fe-Mn-K catalyst. Nature Communications 11 (1) , 6395. 10.1038/s41467-020-20214-z
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Yashwanth, H.J., Rondiya, Sachin R., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Dhole, S.D., Phase, D.M. and Hareesh, K. 2020. Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach. Vacuum 180 , 109589. 10.1016/j.vacuum.2020.109589
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Yin, JieXiang, Stark, Roderick T., Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2020. A mechanochemical zinc-mediated barbier-type allylation reaction under ball-milling conditions. Journal of Organic Chemistry 85 (4) , pp. 2347-2354. 10.1021/acs.joc.9b02876
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Ywaya, David O., Birkett, Michael A., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Ochola, John B., Wilber, Lwande, Wachira, Benson M., Hassanali, Ahmed and Ng'ang'a, Margaret M. 2020. Repellency and composition of essential oils of selected ethnobotanical plants used in Western Kenya against bites of Anopheles gambiae Sensu Stricto. Journal of Essential Oil Bearing Plants 23 (3) , pp. 432-441. 10.1080/0972060X.2020.1780954
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Zhang, Bin, Douthwaite, Mark, Liu, Qiang, Zhang, Chao, Wu, Qifan, Shi, Ruhui, Wu, Peixuan, Liu, Ke, Wang, Zhuangqing, Lin, Weiwei, Cheng, Haiyang, Ma, Ding, Zhao, Fengyu and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2020. Seed- and solvent-free synthesis of ZSM-5 with tuneable Si/Al ratios for biomass hydrogenation. Green Chemistry 22 (5) , pp. 1630-1638. 10.1039/C9GC03622A
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Zhang, Yan, Mustapha, Abdullah Naseer, Zhang, Xiaotong, Baiocco, Daniele, Wellio, Gilmore, Davies, Thomas, Zhang, Zhibing and Li, Yongliang 2020. Improved volatile cargo retention and mechanical properties of capsules via sediment-free in situ polymerization with cross-linked poly(vinyl alcohol) as an emulsifier. Journal of Colloid and Interface Science 568 , pp. 155-164. 10.1016/j.jcis.2020.01.115
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Zhao, Pengfei, Soin, Navneet, Kumar, Amit, Shi, Lin, Guan, Shaoliang, Tsonos, Christos, Yu, Zidong, Ray, Sekhar Chandra, McLaughlin, James A., Zhu, Zhigang, Zhou, Erping, Geng, Junfeng, See, Chan H. and Luo, Jikui 2020. Expanding the portfolio of tribo-positive materials: Aniline formaldehyde condensates for high charge density triboelectric nanogenerators. Nano Energy 67 , 104291. 10.1016/j.nanoen.2019.104291
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Zheng, Xiaoli, Li, Zhuoru, Gao, Wei, Meng, Xiaoting, Li, Xuefei, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261, Zhao, Yibing, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Wu, Chuanliu 2020. Condensation of 2-((Alkylthio)(aryl)methylene)malononitrile with 1,2-Aminothiol as a novel bioorthogonal reaction for site-specific protein modification and peptide cyclization. Journal of the American Chemical Society 142 (11) , pp. 5097-5103. 10.1021/jacs.9b11875
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Zhu, Wen, Liu, Xuan, Hughes, Margaret, de Crécy-Lagard, Valérie and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2020. Whole-genome sequence of Streptomyces kaniharaensis Shomura and Niida SF-557. Microbiology Resource Announcements 9 (14) , e01434-19. 10.1128/MRA.01434-19
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Zimmermann, Domenik M, Seufert, Knud, Dordevic, Luka, Hoh, Tobias, Joshi, Sushobhan, Marangoni, Tomas, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 and Auwärter, Willi 2020. Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111). Beilstein Journal of Nanotechnology 11 , pp. 1470-1483. 10.3762/bjnano.11.130
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Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Exploring the formation of intrinsic p -type and n -type defects in CuO. Physical Review Materials 4 (7) , 074606. 10.1103/PhysRevMaterials.4.074606
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Ðorđević, Luka, Milano, Domenico, Demitri, Nicola and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. O-annulation to polycyclic aromatic hydrocarbons: a tale of optoelectronic properties from five- to seven-membered rings. Organic Letters 22 (11) , pp. 4283-4288. 10.1021/acs.orglett.0c01331
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Abagale, Samson A, Woodcock, Christine M, Chamberlain, Keith, Osafo-Acquaah, Samuel, van Emden, Helmut, Birkett, Michael A, Pickett, John A ORCID: https://orcid.org/0000-0002-1008-6595 and Braimah, Haruna 2019. Attractiveness of host banana leaf materials to the banana weevil, Cosmopolites sordidus in Ghana for development of field management strategies. Pest Management Science 75 (2) , pp. 549-555. 10.1002/ps.5182
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Abdullah, Norli, Bahruji, Hasliza, Rogers, Scott M., Wells, Peter P., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2019. Pd local structure and size correlations to the activity of Pd/TiO2 for photocatalytic reforming of methanol. Physical Chemistry Chemical Physics 21 (29) , pp. 16154-16160. 10.1039/C9CP00826H
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Abis, Laura, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Plasmonic oxidation of glycerol using AuPd/TiO2 catalysts. Catalysis Science and Technology 9 (20) , pp. 5686-5691. 10.1039/C9CY01409H
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Agrawal, Kushagra and Kishore, Nanda 2019. Computational study on kinetics of conversion of bio-oil model compound - Anisole, to platform chemicals. Journal of Physics: Conference Series 1276 (1) , 012071. 10.1088/1742-6596/1276/1/012071
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Agrawal, Kushagra, Verma, Anand M. and Kishore, Nanda 2019. Thermochemical conversion of guaiacol in aqueous phase by density functional theory. ChemistrySelect 4 (20) , pp. 6013-6025. 10.1002/slct.201900437

Agrawal, Kushagra, Verma, Anand Mohan and Kishore, Nanda 2019. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. Journal of Molecular Graphics and Modelling 90 , pp. 199-209. 10.1016/j.jmgm.2019.05.005

Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 and Vgenopoulou, Aggeliki 2019. Flow electrochemical cyclizations via amidyl radicals: easy access to cyclic ureas. SynOpen 03 (01) , pp. 46-48. 10.1055/s-0037-1611772
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Akimenko, S. S., Gorbunov, V. A., Myshlyavtsev, A. V. and Stishenko, P. V. 2019. Tensor renormalization group study of hard-disk models on a triangular lattice. Physical Review E 100 (2) , 022108. 10.1103/PhysRevE.100.022108

Al Rahal, Okba, Hughes, Colan E., Williams, P. Andrew, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Diskin-Posner, Yael and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Polymorphism of L-tryptophan. Angewandte Chemie International Edition 58 (52) , pp. 18788-18792. 10.1002/anie.201908247
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Al Rahal, Okba 2019. Solid-state chemistry of pharmaceutical co-crystals, amino acids and other materials. PhD Thesis, Cardiff University.
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Al-Riyahee, Ali A.A., Horton, Peter N., Coles, Simon J., Amoroso, Angelo J. ORCID: https://orcid.org/0000-0002-7601-5482 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 2019. Syntheses, X-ray structures and characterisation of luminescent chromium(III) complexes incorporating 8-quinolinato ligands. Polyhedron 157 , p. 396. 10.1016/j.poly.2018.10.019
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Al-Sudani, Abdul-Razak H., Abdulridha, Myasim Qasim and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. Di-μ3-chlorido-tetra-μ2-chlorido-di­chloridotetra­kis­(N,N-di­ethyl­ethane-1,2-di­amine-κ2N,N′)tetra­cadmium(II). IUCrData 4 (12) , -. 10.1107/S2414314619016183
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Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2019. 5-Methyl-N'-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide, C22H22N8O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1027-1029. 10.1515/ncrs-2019-0241
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Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 2019. 7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide-dimethylformamide (2/1), C27H23F2N3S, 0.5(C3H7NO). Zeitschrift für Kristallographie - New Crystal Structures 234 (6) , pp. 1141-1143. 10.1515/ncrs-2019-0261
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Alghamdi, Nuha 2019. New derivatives of nitroimidazoles for the potential imaging and therapeutic treatment of hypoxic tissue. PhD Thesis, Cardiff University.
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Alghareeb, Shaimaa 2019. Selective oxidation of n-butanol using heterogeneous platinum metal nanoparticulate-based catalysts. PhD Thesis, Cardiff University.
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Aljdaimi, A., Devlin, H., Dickinson, M., Burnett, T. and Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551 2019. Micron-scale crack propagation in laser-irradiated enamel and dentine studied with nano-CT. Clinical Oral Investigations 23 (5) , pp. 2279-2285. 10.1007/s00784-018-2654-0
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Allemann, Rudolf K ORCID: https://orcid.org/0000-0002-1323-8830, Scott, Alan F., Luk, Louis Y.-P. ORCID: https://orcid.org/0000-0002-7864-6261, Tuñón, Iñaki and Moliner, Vicent 2019. Heavy enzymes and the rational redesign of protein catalysts. ChemBioChem 20 (22) , pp. 2807-2812. 10.1002/cbic.201900134
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Allen, Benjamin D. W., Mishra, Deepak, Seastram, Alex C., McBride, Tom, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2019. Manganese-catalyzed electrochemical deconstructive chlorination of cycloalkanols via alkoxy radicals. Organic Letters 21 (22) , pp. 9241-9246. 10.1021/acs.orglett.9b03652
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Alotaibi, Faisal, Al-Mayman, Sulaiman, Alotaibi, Mohammad, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Lewis, Richard J., Alotaibi, Raja and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Direct synthesis of hydrogen peroxide using Cs-containing heteropolyacid-supported palladium-copper catalysts. Catalysis Letters 149 (4) , pp. 998-1006. 10.1007/s10562-019-02680-3
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Alotaibi, Mohammad Hayal, Abdel-Wahab, Bakr F., Aldosari, Obaid Fahad, Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2019. The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1083-1085. 10.1515/ncrs-2019-0281
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Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2019. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O. Zeitschrift für Kristallographie - New Crystal Structures 234 (3) , 543. 10.1515/ncrs-2018-0546
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Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2019. Crystal structure of N'-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 361-362. 10.1515/ncrs-2018-0420
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Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal 2019. Crystal structure of N'-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 355-357. 10.1515/ncrs-2018-0417
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Alqahtani, Alaa, Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2019. Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 969-971. 10.1515/ncrs-2019-0189
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Amri, Nasser, Skilton, Ryan, Guthrie, Duncan and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Efficient flow electrochemical alkoxylation of N-formylpyrrolidine. SYNLETT 30 (10) , pp. 1183-1186. 10.1055/s-0037-1611774
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Angelastro, Antonio ORCID: https://orcid.org/0000-0002-4023-7411, Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2019. Loss of hyperconjugative effects drives hydride transfer during dihydrofolate reductase catalysis. ACS Catalysis 9 (11) , pp. 10343-10349. 10.1021/acscatal.9b02839
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Antonangelo, Ariana R., Bezzu, C. Grazia, McKeown, Neil B. and Nakagaki, Shirley 2019. Highly active manganese porphyrin-based microporous network polymers for selective oxidation reactions. Journal of Catalysis 369 , pp. 133-142. 10.1016/j.jcat.2018.10.036

Armstrong, Katherine 2019. Characterisation and reactivity of TiO2 based materials for environmental applications; An EPR Investigation. PhD Thesis, Cardiff University.
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Armstrong, Robert David, Hirayama, Jun, Knight, David W and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Quantitative determination of Pt- catalyzed D-glucose oxidation products using 2D NMR. ACS Catalysis 9 (1) , pp. 325-335. 10.1021/acscatal.8b03838
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Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Ali, Majid and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2019. Efficient one-pot synthesis of a hexamethylenetetramine-doped Cu-BDC metal-organic framework with enhanced CO2 adsorption. Nanomaterials 9 (8) , 1063. 10.3390/nano9081063
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Bade, Bharat R., Rondiya, Sachin, Bhopale, Somnath R., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Kamble, Mahesh M., Rokade, Avinash, Nasane, Mamta P., More, Mahendra A., Jadkar, Sandesh R. and Funde, Adinath M. 2019. Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature. SN Applied Sciences 1 (9) , 1073. 10.1007/s42452-019-0978-2
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Bae, Youn Jue, Christensen, Joseph A., Kang, Gyeongwon, Zhou, Jiawang, Young, Ryan M., Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Van Duyne, Richard P., Schatz, George C. and Wasielewski, Michael R. 2019. Substituent effects on energetics and crystal morphology modulate singlet fission in 9,10-bis(phenylethynyl)anthracenes. Journal of Chemical Physics 151 (4) , 044501. 10.1063/1.5110411
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Bae, YounJue, Christensen, Joseph, Kang, Gyeongwon, Malliakas, Christos D., Zhou, Jiawang, Nelson, Jordan, Young, Ryan M., Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Van Duyne, Richard P., Schatz, George, Wasielewski, Michael R., Congreve, Daniel, Bronstein, Hugo A., Nielsen, Christian and Deschler, Felix 2019. Design principles for efficient singlet fission in anthracene-based organic semiconductors. Presented at: SPIE Nanoscience + Engineering 2019, San Diego, CA, USA, 11-15 August 2019. Published in: Nielsen, Christine, Congreve, Daniel, Bronstein, Hugo A. and Deschler, Felix eds. Proceedings Volume 11084, Physical Chemistry of Semiconductor Materials and Interfaces XVIII. Society of Photo-Optical Instrumentation Engineers, p. 24. 10.1117/12.2527346
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Bahili, Mohammed A., Stokes, Emily C., Amesbury, Robert C., Ould, Darren M. C., Christo, Bashar, Horne, Rhian, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Stewart, Jack A., Taylor, Rebekah L., Williams, Andrew, Jones, Matthew D., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 2019. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere. Chemical Communications 55 (53) , pp. 7679-7682. 10.1039/C9CC03339D
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Bahruji, Hasliza, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 and Davies, Philip R ORCID: https://orcid.org/0000-0003-4394-766X 2019. Influence of TiO2 structural structural properties on photocatalytic hydrogen gas production. Journal of Chemical Sciences 131 (4) , -. 10.1007/s12039-019-1608-7
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Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Cosgrove, David A., Leach, Andrew G. and Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 2019. The problem of racemization in drug discovery and tools to predict it. Expert Opinion on Drug Discovery 14 (6) , pp. 527-539. 10.1080/17460441.2019.1588881
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Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Keymer, Nathaniel I, Asaad, Nabil, Cosgrove, David A., Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 and Leach, Andrew G 2019. Racemisation in chemistry and biology. Chemistry - A European Journal 10.1002/chem.201903917
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Bezzu, C. Grazia, Burt, Luke A., McMonagle, Charlie J., Moggach, Stephen A., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Allan, David R., Warren, Mark and McKeown, Neil B. 2019. Highly stable fullerene-based porous molecular crystals with open metal sites. Nature Materials 18 , pp. 740-745. 10.1038/s41563-019-0361-0
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Biot, Nicolas 2019. Framing the chalcogen-bonding interaction in the supramolecular toolbox for solid-state applications. PhD Thesis, Cardiff University.
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Bland, Henry A., Thomas, Evan L. H., Klemencic, Georgina M. ORCID: https://orcid.org/0000-0002-2125-9754, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Papageorgiou, Andreas, Jones, Tyrone G. and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 2019. Superconducting diamond on silicon nitride for device applications. Scientific Reports 9 , 2911. 10.1038/s41598-019-39707-z
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Botha, Louise M., Santos-Carballal, David, Terranova, Umberto, Quesne, Matthew G., Ungerer, Marietjie J., van Sittert, Cornelia G. C. E. and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9 (30) , pp. 16948-16954. 10.1039/C9RA02320H
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Botti, Luca, Navar, Ricardo, Tolborg, Søren, Martinez-Espin, Juan S., Padovan, Daniele, Taarning, Esben and Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 2019. Influence of composition and preparation method on the continuous performance of Sn-Beta for glucose-fructose isomerisation. Topics in Catalysis 62 (17-20) , pp. 1178-1191. 10.1007/s11244-018-1078-z
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Grillo, Federico and Archard, Daniel 2019. CO and O2 adsorption on K/Pt(111). Journal of Physical Chemistry C 123 (13) , pp. 8198-8205. 10.1021/acs.jpcc.8b08461
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Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2019. Methanol synthesis from CO2 hydrogenation. ChemCatChem 11 (17) , pp. 4238-4246. 10.1002/cctc.201900401
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Boyle, Aimee L., Rabe, Martin, Crone, Niek S. A., Rhys, Guto G., Soler, Nicolas, Voskamp, Patrick, Pannu, Navraj S. and Kros, Alexander 2019. Selective coordination of three transition metal ions within a coiled-coil peptide scaffold. Chemical Science 10 (31) , pp. 7456-7465. 10.1039/C9SC01165J
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Buckeridge, J., Veal, T.D., Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 and Scanlon, D. O. 2019. Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb. Physical Review B 100 (3) 10.1103/PhysRevB.100.035207
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Buettner, Cornelia S., Willcox, Darren, Chappell, Ben G. N. and Gaunt, Matthew J. 2019. Mechanistic investigation into the C(sp3)–H acetoxylation of morpholinones. Chemical Science 10 (1) , pp. 83-89. 10.1039/C8SC03434F
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Caiti, Massimiliano, Padovan, Daniele and Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 2019. Continuous production of hydrogen from formic acid decomposition over heterogeneous nanoparticle catalysts: from batch to continuous flow. ACS Catalysis 9 (10) , pp. 9188-9198. 10.1021/acscatal.9b01977
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Campisi, Sebastiano, Ferri, Michele, Chan-Thaw, Carine, Sanchez Trujillo, Felipe, Motta, Davide, Tabanelli, Tommaso, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 and Villa, Alberto 2019. Metal-support cooperative effects in Au/VPO for the aerobic oxidation of benzyl alcohol to benzyl benzoate. Nanomaterials 9 (2) , 299. 10.3390/nano9020299
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Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225, Nicholson, William I., Jones, Andrew C. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2019. Robust Buchwald-Hartwig amination enabled by ball-milling. Organic and Biomolecular Chemistry 17 (7) , pp. 1722-1726. 10.1039/C8OB01781F
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Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225, Stark, Roderick, Fallis, Ian ORCID: https://orcid.org/0000-0001-7361-0182 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2019. A ball-milling enabled Reformatsky reaction. ChemSusChem 12 (12) , pp. 2554-2557. 10.1002/cssc.201900886
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Cao, Wenxiu, Lin, Lu, Qi, Haifeng, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Wu, Zhijie, Wang, Aiqin, Luo, Wenhao and Zhang, Tao 2019. In-situ synthesis of single-atom Ir by utilizing metal-organic frameworks: An acid-resistant catalyst for hydrogenation of levulinic acid to γ-valerolactone. Journal of Catalysis 373 , pp. 161-172. 10.1016/j.jcat.2019.03.035
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Capelli, Sofia, Motta, Davide, Evangelisti, Claudio, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Prati, Laura, Pirola, Carlo and Villa, Alberto 2019. Bio adipic acid production from sodium muconate and muconic acid: a comparison of two systems. ChemCatChem 11 (13) , pp. 3075-3084. 10.1002/cctc.201900343
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Carden, Jamie, Gierlichs, Lukas, Wass, Duncan ORCID: https://orcid.org/0000-0002-0356-7067, Browne, Duncan ORCID: https://orcid.org/0000-0002-8604-229X and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 2019. Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation. Chemical Communications 55 (3) , pp. 318-321. 10.1039/C8CC09459D
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Carloni, Laure-Elie, Bezzu, C. Grazia and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Patterning porous networks through self-assembly of programmed biomacromolecules. Chemistry - A European Journal 25 (71) , pp. 16179-16200. 10.1002/chem.201902576
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Carloni, Laure-Elie, Mohnani, Stefan and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Synthesis of 3,5-disubstituted isoxazoles through a 1,3-dipolar cycloaddition reaction between alkynes and nitrile oxides generated from O-silylated hydroxamic acids. European Journal of Organic Chemistry 2019 (44) , pp. 7322-7334. 10.1002/ejoc.201901045
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Carter, James H., Shah, Parag M., Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Freakley, Simon J., Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stan and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Enhanced activity and stability of Gold/Ceria-Titania for the low-temperature water-gas shift reaction. Frontiers in Chemistry 7 , 443. 10.3389/fchem.2019.00443
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Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Crowley, James D. 2019. Editorial: supramolecular metal-based entities for biomedical and biological applications. Frontiers in Chemistry 7 , -. 10.3389/fchem.2019.00293
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Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2019. Computational and materials structural science. IUCrJ 6 (4) , pp. 501-502. 10.1107/S2052252519009114
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Cattaneo, Stefano, Althahban, Sultan, Freakley, Simon, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Davies, Thomas, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Synthesis of highly uniform and composition-controlled gold-palladium supported nanoparticles in continuous flow. Nanoscale 17 , pp. 8247-8259. 10.1039/C8NR09917K
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Cattaneo, Stefano, Sanchez Trujillo, Felipe J., Dimitratos, Nikolaos and Villa, Alberto 2019. The effect of carbon nanofibers surface properties in hydrogenation and dehydrogenation reactions. Applied Sciences 9 (23) , 5061. 10.3390/app9235061
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Chachvalvutikul, Auttaphon, Jakmunee, Jaroon, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Novel FeVO4/Bi7O9I3 nanocomposite with enhanced photocatalytic dye degradation and photoelectrochemical properties. Applied Surface Science 475 , pp. 175-184. 10.1016/j.apsusc.2018.12.214

Chachvalvutikul, Auttaphon, Pudkon, Watcharapong, Luangwanta, Tawanwit, Thongtem, Titipun, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Enhanced photocatalytic degradation of methylene blue by a direct Z-scheme Bi2S3/ZnIn2S4 photocatalyst. Materials Research Bulletin 111 , pp. 53-60. 10.1016/j.materresbull.2018.10.034

Chaffey, Dawn R., Alamillo-Ferrer, Carla, Davies, Thomas E., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Tomkinson, Nicholas C. O. and Graham, Andrew E. 2019. Metal triflate-promoted allylic substitution reactions of cinnamyl alcohol in the presence of orthoesters and acetals. ACS Omega 4 , pp. 15985-15991. 10.1021/acsomega.9b02059
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Chaubey, Mukesh Ghanshyam, Patel, Stuti Nareshkumar, Rastogi, Rajesh Prasad, Srivastava, Prabhakar Lal ORCID: https://orcid.org/0000-0002-8219-6419, Singh, Arun Kumar, Madamwar, Datta and Singh, Niraj Kumar 2019. Therapeutic potential of cyanobacterial pigment protein phycoerythrin: in silico and in vitro study of BACE1 interaction and in vivo Aβ reduction. International Journal of Biological Macromolecules 134 , pp. 368-378. 10.1016/j.ijbiomac.2019.05.006

Chen, Chunhui, Wu, Li, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647, Huang, Xiaoyang and Peng, Yaxiong 2019. The drying effect on xanthan gum biopolymer treated sandy soil shear strength. Construction and Building Materials 197 , pp. 271-279. 10.1016/j.conbuildmat.2018.11.120
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Chen, Huanhao, Mu, Yibing, Shao, Yan, Chansai, Sarayute, Xu, Shaojun, Stere, Cristina E., Xiang, Huan, Zhang, Rongxin, Jiao, Yilai, Hardacre, Christopher and Fan, Xiaolei 2019. Coupling non-thermal plasma with Ni catalysts supported on BETA zeolite for catalytic CO2 methanation. Catalysis Science and Technology 9 (15) , pp. 4135-4145. 10.1039/C9CY00590K
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Chiangraeng, Natthiti, Chachvalvutikul, Auttaphon, Choklap, Wimonnat, Kaowphong, Sulawan and Nimmanpipug, Piyarat 2019. Synthesis of BiVO4 photocatalyst via cyclic microwave irradiation method. Presented at: 5th Southeast Asia Conference of Thermoelectrics (SACT 2018), Siem Reap, Cambodia, 14-17 December 2018. Ferroelectrics. , vol.552 (1) Taylor & Francis: STM, Behavioural Science and Public Health Titles, pp. 42-52. 10.1080/00150193.2019.1653081

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2019. λ3-Iodanes as visible light photocatalyst in thioacetalization of aldehydes. European Journal of Organic Chemistry 2019 (30) , pp. 4822-4826. 10.1002/ejoc.201900753

Christensen, Kirsten, Williams, P. Andrew, Patterson, Rhian, Palmer, Benjamin A., Couzi, Michel, Guillaume, François and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 6 (8) , 190518. 10.1098/rsos.190518
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Collier, Thomas A., Nash, Anthony, Birch, Helen L. and De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2019. Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagen. Journal of Biomolecular Structure and Dynamics 37 (2) , pp. 537-549. 10.1080/07391102.2018.1433553
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Comesaña-Gándara, Bibiana, Chen, Jie, Bezzu, C. Grazia, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, Rose, Ian, Ferrari, Maria-Chiara, Esposito, Elisa, Fuoco, Alessio, Jansen, Johannes C. and McKeown, Neil B. 2019. Redefining the Robeson upper bounds for CO2/CH4 and CO2/N2 separations using a series of ultrapermeable benzotriptycene-based polymers of intrinsic microporosity. Energy and Environmental Science 12 (9) , pp. 2733-2740. 10.1039/C9EE01384A
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Cooper, Bridgette, Tudorovskaya, Maria, Mohr, Sebastian, O'Hare, Aran, Hanicinec, Martin, Dzarasova, Anna, Gorfinkiel, Jimena D., Benda, Jakub, Masín, Zdenek, Al-Refaie, Ahmed F., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Tennyson, Jonathan 2019. Quantemol Electron Collisions (QEC): An enhanced expert system for performing electron molecule collision calculations using the R-matrix method. Atoms 7 (4) , 97. 10.3390/atoms7040097
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Craco, L., Carara, S. S. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2019. Electronic structure of BiFeO3 in the presence of strong electronic correlations. Physical Review B 99 (4) , -. 10.1103/PhysRevB.99.045112
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2019. Theory of two-fluid metallicity in superconducting FeSe at high pressure. Physical Review B 100 (12) , -. 10.1103/PhysRevB.100.121101
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2019. LDA+DMFT approach to electronic structure of sodium metal. Physical Review B 100 (11) , 115156. 10.1103/PhysRevB.100.115156
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Cresser-Brown, Joel 2019. Structural insight into the development of novel allosteric Calpain-1 inhibitors. PhD Thesis, Cardiff University.
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Cruz Samperio, Raquel 2019. Selective photoactivation of proteins in mammalian cells for research and therapy. PhD Thesis, Cardiff University.
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Dai, Xiaoxia, Wang, Xinwei, Long, Yunpeng, Pattisson, Samuel, Lu, Yunhao, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Carter, James H., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Wu, Zhongbiao and Weng, Xiaole 2019. Efficient elimination of chlorinated organics on a phosphoric acid modified CeO2 catalyst: a hydrolytic destruction route. Environmental Science and Technology 53 (21) , pp. 12697-12705. 10.1021/acs.est.9b05088
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Dambatta, Mubarak, Polidano, Kurt, Northey, Alexander D., Williams, Jonathan M. J. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2019. Iron‐catalyzed borrowing hydrogen C‐Alkylation of oxindoles with alcohols. ChemSusChem 12 (11) , pp. 2345-2349. 10.1002/cssc.201900799
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Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Collier, Paul, Chutia, Arunabhiram, Erden, Tugce Eralp, Hardacre, Christopher, Kroner, Anna, Nachtegaal, Maarten, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D., Goguet, Alexandre and Wells, Peter P. 2019. Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis 2 , pp. 157-163. 10.1038/s41929-018-0213-3
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Dann, Ellie K., Gibson, Emma K., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Celorrio, Veronica, Collier, Paul, Eralp, Tugce, Amboage, Monica, Hardacre, Christopher, Stere, Cristina, Kroner, Anna, Raj, Agnes, Rogers, Scott, Goguet, Alexandre and Wells, Peter P. 2019. Combined spatially resolved operando spectroscopy: new insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3. Journal of Catalysis 373 , pp. 201-208. 10.1016/j.jcat.2019.03.037
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Das, Trisha, Chatterjee, Rana, Majee, Adinath, Uyama, Hiroshi, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 and Nandi, Mahasweta 2019. In situ synthesis of CuO nanoparticles over functionalized mesoporous silica and their application in catalytic syntheses of symmetrical diselenides. Dalton Transactions 48 , pp. 17874-17886. 10.1039/C9DT03418H
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Davis, Dita, Carrod, Andrew J., Guo, Zhilin, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Zhang, Yuan-Zhu and Pikramenou, Zoe 2019. Imidodiphosphonate ligands for enhanced sensitization and shielding of visible and near-infrared lanthanides. Inorganic Chemistry 58 (19) , pp. 13268-13275. 10.1021/acs.inorgchem.9b02090
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Dawson, Simon Rhys 2019. Acetylene hydrochlorination using gold catalysts. PhD Thesis, Cardiff University.
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Dawson, William M., Rhys, Guto G. and Woolfson, Derek N. 2019. Towards functional de novo designed proteins. Current Opinion in Chemical Biology 52 , pp. 102-111. 10.1016/j.cbpa.2019.06.011

Day, Adam H., Adams, Samuel J., Gines, Laia ORCID: https://orcid.org/0000-0001-9980-054X, Williams, Oliver A., Johnson, Benjamin R. G., Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, Loveridge, E. Joel, Bahra, Gurmit S., Oyston, Petra C. F., Herrera, Juan Manuel and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2019. Synthetic routes, characterization and photophysical properties of luminescent, surface functionalized nanodiamonds. Carbon 152 , pp. 335-343. 10.1016/j.carbon.2019.05.081
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Day, Adam 2019. Fluorescent nanodiamonds: bioengineered functional materials. PhD Thesis, Cardiff University.
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Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Nicoletti, Caroline D., deMoraes, Marcela C., Futuro, Debora O., Bühl, Michael, de C. da Silva, Fernando, Ferreira, Vitor F. and de M.Carneiro, José W. 2019. α‐ and β‐ Lapachone isomerization in acidic media: Insights from experimental and implicit/explicit solvation approaches. ChemPlusChem 84 (1) , pp. 52-61. 10.1002/cplu.201800485

Demiray, Melodi, Miller, David J and Allemann, Rudolf K ORCID: https://orcid.org/0000-0002-1323-8830 2019. Harnessing enzyme plasticity for the synthesis of oxygenated sesquiterpenoids. Beilstein Journal of Organic Chemistry 15 , pp. 2184-2190. 10.3762/bjoc.15.215
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Di Michele, Alessandro, Dell'Angelo, Anna, Tripodi, Antonio, Bahadori, Elnaz, Sanchez Trujillo, Felipe Juan, Motta, Davide, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Rossetti, Ilenia and Ramis, Gianguido 2019. Steam reforming of ethanol over Ni/MgAl2O4 catalysts. International Journal of Hydrogen Energy 44 (2) , pp. 952-964. 10.1016/j.ijhydene.2018.11.048
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Dordevic, Luka, Marangoni, Tomas, Liu, Mingjie, De Zorzi, Rita, Geremia, Silvano, Minoia, Andrea, Lazzaroni, Roberto, Ishida, Yasuhiro and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Templating porphyrin anisotropy via magnetically aligned carbon nanotubes. ChemPlusChem 84 (9) , pp. 1270-1278. 10.1002/cplu.201800623
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Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Marinelli, Davide, Demitri, Nicola and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Structural properties of highly doped borazino polyphenylenes obtained through condensation reaction. ACS Omega 4 (5) , pp. 9343-9351. 10.1021/acsomega.9b00830
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Edwards, Lee ORCID: https://orcid.org/0000-0003-2200-9578, Mack, Paul and Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2019. Recent advances in dual mode charge compensation for XPS analysis. Surface and Interface Analysis 51 (9) , pp. 925-933. 10.1002/sia.6680
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde. IUCrData 4 (2) 10.1107/S2414314619002177
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-8H-indeno[1,2-d]thiazole. IUCrData 4 (2) 10.1107/S2414314619002189
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazole. IUCrData 4 (3) 10.1107/S2414314619003596
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2H-chromen-2-one. IUCrData 4 (2) 10.1107/S2414314619001706
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. N′-[5-Acetyl-3-(4-chloro­phen­yl)-2,3-di­hydro-1,3,4-thia­diazol-2-yl­­idene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide di­methyl­formamide monosolvate. IUCrData 4 (1) 10.1107/S2414314619001482
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 1-(4-Fluorophenyl)-5-methyl-N?-{1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 4 (2) 10.1107/S241431461900261X
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)thiazole. IUCrData 4 (2) 10.1107/S2414314619002402
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. N'-[5-Acetyl-3-(4-bromophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (2) 10.1107/S2414314619002487
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Hayal Alotaibi, Mohammad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine. IUCrData 4 (1) , x190136. 10.1107/S2414314619001366
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El-Hiti, Gamal A, Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2019. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methylthiazole. IUCrData 4 (2) , -. 10.1107/S2414314619002116
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El-Mellouhi, Fedwa, Rashkeev, Sergey N., Marzouk, Asma, Kabalan, Lara, Belaidi, Abdelhak, Merzougui, Belabbes, Tabet, Nouar and Alharbi, Fahhad H. 2019. Intrinsic stability enhancement and ionic migration reduction by fluorinated cations incorporated in hybrid lead halide perovskites. Journal of Materials Chemistry. C 7 (18) , pp. 5299-5306. 10.1039/C8TC06308G

Elsherbini, Mohamed, Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. 'Dark' singlet oxygen made easy. Chemistry - A European Journal 25 (54) , pp. 12486-12490. 10.1002/chem.201903505
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Elsherbini, Mohamed, Winterson, Bethan, Alharbi, Haifa, Folgueiras Amador, Ana A., Genot, Célina and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Continuous electrochemical generator of hypervalent iodine reagents: synthetic applications in flow. Angewandte Chemie International Edition 58 (29) , pp. 9811-9815. 10.1002/anie.201904379
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Elsherbini, Mohamed and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Electroorganic synthesis under flow conditions. Accounts of Chemical Research 52 (12) , pp. 3287-3296. 10.1021/acs.accounts.9b00497
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Engel, Rebecca V., Alsaiari, Raiedhah, Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Solvent-free aerobic epoxidation of 1-decene using supported cobalt catalysts. Catalysis Today 333 , pp. 154-160. 10.1016/j.cattod.2018.09.005
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Engel, Julien ORCID: https://orcid.org/0000-0002-1235-4784, Francis, Samantha and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2019. The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study. Physical Chemistry Chemical Physics (35) , pp. 19011-19025. 10.1039/C9CP03066B
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Espinal-Viguri, Maialen, Neale, Samuel E., Coles, Nathan T. ORCID: https://orcid.org/0000-0001-6190-9080, Macgregor, Stuart A. and Webster, Ruth L. 2019. Room temperature iron-catalyzed transfer hydrogenation and regioselective deuteration of carbon–carbon double bonds. Journal of the American Chemical Society 141 (1) , 572–582. 10.1021/jacs.8b11553

Estrada-Ortiz, Natalia, Lopez-Gonzales, Elena, Woods, Ben, Stürup, Stefan, de Graaf, Inge A. M., Groothuis, Geny M. M. and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2019. Ex vivo toxicological evaluation of experimental anticancer gold(I) complexes with lansoprazole-type ligands. Toxicology Research 8 (6) , pp. 885-895. 10.1039/C9TX00149B
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709, Campbell, Cameron L., Haddow, Mairi F., Luz, Christian, Morton, Paul A. and Mansell, Stephen M. 2019. Lithium complexes with bridging and terminal NHC ligands: the decisive influence of an anionic tether. European Journal of Inorganic Chemistry 2019 (46) , pp. 4894-4901. 10.1002/ejic.201901003
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709 and Mansell, Stephen M. 2019. Synergic deprotonation generates alkali-metal salts of tethered fluorenide-NHC ligands co-complexed to alkali-metal amides. Chemistry - A European Journal 25 (15) , pp. 3766-3769. 10.1002/chem.201806278
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Evans, Kieren J. ORCID: https://orcid.org/0000-0003-0111-1709, Potrykus, Ben and Mansell, Stephen M. 2019. On the reactivity of N-tert-butyl-1,2-diaminoethane: synthesis of 1-tert-butyl-2-imidazoline, formation of an intramolecular carbamate salt from the reaction with CO2, and generation of a hydroxyalkyl-substituted imidazolinium salt. Heteroatom Chemistry 2019 , 1094173. 10.1155/2019/1094173
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Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2019. Model of Fe-Terephthalate ordering on Cu(100). Journal of Physical Chemistry C 123 (28) , 17265–17272. 10.1021/acs.jpcc.9b02834

Fang, L., Yan, Z., Vits, K., Southward, B. and Pera-Titus, M. 2019. Nanoceria-promoted low Pd–Ni catalyst for the synthesis of secondary amines from aliphatic alcohols and ammonia. Catalysis Science and Technology 9 (5) , pp. 1215-1230. 10.1039/C8CY01670D

Fang, Huihuang, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Tian, Chenchen, Zheng, Yanping, Duan, Xinping, Chen, Kun, Ye, Linmin, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 and Yuan, Youzhu 2019. Structural tuning and catalysis of tungsten carbides for the regioselective cleavage of C-O bonds. Journal of Catalysis 369 , pp. 283-295. 10.1016/j.jcat.2018.11.020
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Farkas, Barbara, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Cadi Essadek, Abdelaziz and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications. Materialia 7 , p. 100381. 10.1016/j.mtla.2019.100381
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Faulkner, Christopher, Plant, David F. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Modulation of the gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study. Biochemistry 58 (48) , pp. 4804-4808. 10.1021/acs.biochem.9b00881
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Fermi, Andrea and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Tailoring the photoredox properties of organic dyes. Photochemistry: Volume 47, Vol. 47. Royal Society of Chemistry, pp. 293-325. (10.1039/9781788016520-00293)

Fioco, David ORCID: https://orcid.org/0000-0003-3714-2742, Belli Dell'Amico, Daniela, Labella, Luca, Marchetti, Fabio and Samaritani, Simona 2019. A sound sequence to triphenylphosphino dibromoplatinum(II) complexes – solvothermal preparation of trans-[PtBr(µ‐Br)(PPh3)]2. European Journal of Inorganic Chemistry 2019 (36) , pp. 3970-3974. 10.1002/ejic.201900711
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Fletcher-Charles, Jack 2019. Synthesis of electrochromic oxygen-doped polycyclic aromatic hydrocarbons. MPhil Thesis, Cardiff University.
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Flodén, Nils J., Trowbridge, Aaron, Willcox, Darren, Walton, Scarlett M., Kim, Yongjoon and Gaunt, Matthew J. 2019. Streamlined synthesis of C(sp3)-Rich N-Heterospirocycles enabled by visible-light-mediated photocatalysis. Journal of the American Chemical Society 141 (21) , pp. 8426-8430. 10.1021/jacs.9b03372
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Folgueiras Amador, Ana and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Electrochemistry under flow conditions. Luis, Santiago V. and Garcia-Verdugo, Eduardo, eds. Flow Chemistry: Integrated Approaches for Practical Applications, Green Chemistry Series, Royal Society of Chemistry, pp. 153-198. (10.1039/9781788016094-00153)

Freakley, Simon J., Kochius, Svenja, van Marwijk, Jacqueline, Fenner, Caryn, Lewis, Richard J., Baldenius, Kai, Marais, Sarel S., Opperman, Diederik J., Harrison, Susan T. L., Alcalde, Miguel, Smit, Martha S. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. A chemo-enzymatic oxidation cascade to activate C-H bonds with in situ generated H2O2. Nature Communications 10 (1) , 4178. 10.1038/s41467-019-12120-w
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Galaverna, Renan, McBride, Tom, Pastre, Julio C. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2019. Exploring the generation and use of acylketenes with continuous flow processes. Reaction Chemistry and Engineering 4 (9) , pp. 1559-1564. 10.1039/C9RE00072K
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Gambu, Thobani G., Terranova, Umberto, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Thermal properties and segregation behavior of Pt Nanowires modified with Au, Ag, and Pd Atoms: a classical molecular dynamics study. Journal of Physical Chemistry C 123 (33) , -. 10.1021/acs.jpcc.9b02730
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Gao, Sisi, Liu, Huanting, de Crécy-Lagard, Valérie, Zhu, Wen, Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 and Naismith, James H. 2019. PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chemical Communications 55 (96) , pp. 14502-14505. 10.1039/C9CC06975E
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García, Tomás, López, José M., Solsona, Benjamín, Sanchis, Rut, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Davies, Thomas E., Lu, Li, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2019. The key role of nanocasting in gold-based Fe2 O3 nanocasted catalysts for oxygen activation at the metal-support interface. ChemCatChem 11 (7) , pp. 1915-1927. 10.1002/cctc.201900210
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Garcia-Meseguer, Rafael and Carpenter, Barry K. ORCID: https://orcid.org/0000-0002-5470-0278 2019. Re-evaluating the transition state for reactions in solution. European Journal of Organic Chemistry 2019 (2-3) , pp. 254-266. 10.1002/ejoc.201800841
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Garcia-Mesguer, R., Carpenter, B.K. ORCID: https://orcid.org/0000-0002-5470-0278 and Wiggins, S. 2019. The influence of the solvent's mass on the location of the dividing surface for a model Hamiltonian. Chemical Physics Letters: X , 100030. 10.1016/j.cpletx.2019.100030
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Gionco, Chiara, Hernández, Simelys, Castellino, Micaela, Gadhi, Tanveer Ahmed, Muñoz-Tabares, José Alejandro, Cerrato, Erik, Tagliaferro, Alberto, Russo, Nunzio and Paganini, Maria Cristina 2019. Synthesis and characterization of Ce and Er doped ZrO2 nanoparticles as solar light driven photocatalysts. Journal of Alloys and Compounds 775 , pp. 896-904. 10.1016/j.jallcom.2018.10.046

Gonçalves, Nuno P.F., Paganini, Maria Cristina, Armillotta, Paolo, Cerrato, Erik and Calza, Paola 2019. The effect of cobalt doping on the efficiency of semiconductor oxides in the photocatalytic water remediation. Journal of Environmental Chemical Engineering 7 (6) , 103475. 10.1016/j.jece.2019.103475
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Gonzaga de Oliveira, Luciana, Sigrist, Renata, Sachetto Paulo, Bruno, Samborskyy, Markyian and Stajich, Jason E. 2019. Whole-genome sequence of the endophytic Streptomyces sp. strain CBMAI 2042, isolated from Citrus sinensis. Microbiology Resource Announcements 8 (2) , e01426-18. 10.1128/MRA.01426-18
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Gonzalez Requena, Victor 2019. A combinatorial toolbox to explore the usage of sesquiterpene synthases: structure - function studies, substrate promiscuity and directed evolution. PhD Thesis, Cardiff University.
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Grazziotin-Soares, Renata, Nekoofar, Mohammad, Davies, Thomas, Hübler, Roberto, Meraji, Naghmeh and Dummer, Paul ORCID: https://orcid.org/0000-0002-0726-7467 2019. Crystalline phases involved in the hydration of calcium silicate-based cements: Semi-quantitative Rietveld X-ray diffraction analysis. Australian Endodontic Journal 45 (1) , pp. 26-32. 10.1111/aej.12226
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Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew, Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Jacquemin, Johan and Hardacre, Christopher 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry and Engineering 7 (3) , pp. 3567-3574. 10.1021/acssuschemeng.8b05870
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Gritsenko, Oleg V., Wang, Jian and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 2019. Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory. Physical Review A 99 (4) , -. 10.1103/PhysRevA.99.042516
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Groves, Lara M., Williams, Catrin F. ORCID: https://orcid.org/0000-0001-8619-2581, Hayes, Anthony J., Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Isaacs, Marc D., Symonds, Nadine O., Lloyd, David ORCID: https://orcid.org/0000-0002-5656-0571, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2019. Fluorescent functionalised naphthalimides and their Au(i)–NHC complexes for potential use in cellular bioimaging. Dalton Transactions 48 (5) , pp. 1599-1612. 10.1039/C8DT04069A
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Gu, Q., Fang, W.-H., Wischert, R., Zhou, W-J., Michel, C. and Pera-Titus, M. 2019. AuCu/CeO2 bimetallic catalysts for the selective oxidation of fatty alcohol ethoxylates to alkyl ether carboxylic acids. Journal of Catalysis 380 , pp. 132-144. 10.1016/j.jcat.2019.10.017

Guadix Montero, Susana 2019. Catalytic conversion of biomass. PhD Thesis, Cardiff University.
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Hamilton, Hugh B., King, Ashley M., Sparkes, Hazel A., Pridmore, Natalie E. and Wass, Duncan ORCID: https://orcid.org/0000-0002-0356-7067 2019. Zirconium−nitrogen intermolecular frustrated Lewis pairs. Inorganic Chemistry 58 (9) , pp. 6399-6409. 10.1021/acs.inorgchem.9b00569
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Han, Jiaying, Permentier, Hjalmar, Bischoff, Rainer, Groothuis, Geny, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Horvatovich, Péter 2019. Imaging of protein distribution in tissues using mass spectrometry: An interdisciplinary challenge. Trends in Analytical Chemistry 112 , pp. 13-28. 10.1016/j.trac.2018.12.016
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Hare, Stephanie R., Bratholm, Lars A., Glowacki, David R. and Carpenter, Barry K. ORCID: https://orcid.org/0000-0002-5470-0278 2019. Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices. Chemical Science 10 (43) , pp. 9954-9968. 10.1039/C9SC02742D
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Hasnain, S. Samar and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2019. Synchrotron science in the UK: NINA, the SRS and Diamond. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 377 (2147) , 20190147. 10.1098/rsta.2019.0147
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Hassanain, Hawazen, Davies, E. Stephen, Lewis, William, Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 and Champness, Neil R. 2019. Structural characterization and optical properties of two copper(i)-iodide BODIPY coordination polymers. CrystEngComm 21 (31) , pp. 4551-4556. 10.1039/C9CE00845D

Hassemer, Marla J., Borges, Miguel, Withall, David M., Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2019. Development of pull and push–pull systems for management of lesser mealworm, Alphitobius diaperinus, in poultry houses using alarm and aggregation pheromones. Pest management Science 75 (4) , pp. 1107-1114. 10.1002/ps.5225
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Skelton, Jonathan M., Warren, Mark R and Raithby, Paul R. 2019. Photocrystallographic studies on transition metal nitrito metastable linkage isomers: manipulating the metastable state. Accounts of Chemical Research 52 (4) 10.1021/acs.accounts.9b00018
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He, Chi, Cheng, Jie, Zhang, Xin, Douthwaite, Mark, Pattisson, Samuel and Hao, Zhengping 2019. Recent advances in the catalytic oxidation of volatile organic compounds: a review based on pollutant sorts and sources. Chemical Reviews 119 (7) , pp. 4471-4568. 10.1021/acs.chemrev.8b00408
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Hellier, Pip 2019. Segregation and reactivity in bi-cationic oxide catalysts. PhD Thesis, Cardiff University.
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Hellier, Pip, Wells, Peter P and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2019. Methanol oxidation over shell-core MOx/Fe2O3 (M = Mo, V, Nb) catalysts. Chinese Journal of Catalysis 40 (11) , pp. 1686-1692. 10.1016/S1872-2067(19)63350-4
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Hernandez Tamargo, Carlos, O'Malley, Alexander, Silverwood, Ian P. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study. Catalysis Science and Technology 9 (23) , pp. 6700-6713. 10.1039/C9CY01548E
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Hernandez Tamargo, Carlos, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Tautomerization of phenol at the external lewis acid sites of scandium-, iron- and gallium-substituted zeolite MFI. Journal of Physical Chemistry C 123 (13) , 7604. 10.1021/acs.jpcc.8b02455
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Hill, Michael S., Mahon, Mary F., Wilson, Andrew S. S., Dinoi, Chiara, Maron, Laurent and Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 2019. Reduction of 1,3,5,7-cyclooctatetraene by a molecular calcium hydride: an even electron polarised insertion/deprotonation mechanism. Chemical Communications 55 (40) , pp. 5732-5735. 10.1039/C9CC02418B
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Hill, Stephen, Sheikh, Sadiyah, Zhang, Qiaoyu, Sueiro Ballesteros, Lorena, Herman, Andrew, Davis, Sean A, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Berry, Monica, Benito-Alifonso, David and Galan, M. Carmen 2019. Selective photothermal killing of cancer cells using LED-activated nucleus targeting fluorescent carbon dots. Nanoscale Advances 1 (8) , pp. 2840-2846. 10.1039/C9NA00293F
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Hirayama, Jun, Orlowski, Igor, Iqbal, Sarwat, Douthwaite, Mark, Ishikawa, Satoshi, Miedziak, Peter J., Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Jenkins, Robert L., Murayama, Toru, Reece, Christian, Ueda, Wataru, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. The effects of dopants on the Cu-ZrO2 catalysed hydrogenation of levulinic acid. Journal of Physical Chemistry C 123 (13) , pp. 7879-7888. 10.1021/acs.jpcc.8b07108
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Hirsch, Anna, Palmer, Benjamin A., Ramasubramaniam, Ashwin, Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Pokroy, Boaz, Weiner, Steve, Addadi, Lia, Leiserowitz, Leslie and Kronik, Leeor 2019. Structure and morphology of light-reflecting synthetic and biogenic polymorphs of isoxanthopterin: A comparison. Chemistry of Materials 31 (12) , pp. 4479-4489. 10.1021/acs.chemmater.9b01039
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Hogarth, Graeme, Hollingsworth, Nathan, Islam, Husn, Bras, Wim, De Leeuw, Nora Henriette ORCID: https://orcid.org/0000-0002-8271-0545, Roffey, Anna and Sankar, Gopinathan 2019. Fe(II) and Fe(III) dithiocarbamate complexes as single source precursors to nanoscale iron sulfides: A combined synthetic and in-situ XAS approach. Nanoscale Advances 1 (8) , pp. 2965-2978. 10.1039/C9NA00262F
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Hokamp, Tobias and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Structurally defined α-Tetralol-Based chiral hypervalent iodine reagents. Journal of Organic Chemistry 84 (13) , pp. 8674-8682. 10.1021/acs.joc.9b01315
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Howard, Ioli C., Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 and Buchard, Antoine 2019. Polymer-supported metal catalysts for the heterogeneous polymerisation of lactones. Polymer Chemistry 10 (43) , pp. 5894-5904. 10.1039/C9PY01472A
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Howe, Alexander G. R., Maunder, Rhodri, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 2019. Rapid microwave-assisted polyol synthesis of TiO2-supported ruthenium catalysts for levulinic acid hydrogenation. Catalysts 9 (9) , 748. 10.3390/catal9090748
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Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance 99 , -. 10.1016/j.ssnmr.2019.01.003
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Humby, Jack D., Benson, Oguarabau, Smith, Gemma L., Argent, Stephen P., da Silva, Ivan, Cheng, Yongqiang, Rudic, Svemir, Manuel, Pascal, Frogley, Mark D., Cinque, Gianfelice, Saunders, Lucy K., Vitorica-Yrzebal, Inigo, Whitehead, George F. S., Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642, Lewis, William, Blake, Alexander J., Ramirez-Cuesta, Anibal J., Yang, Sihai and Schroder, Martin 2019. Host-guest selectivity in a series of isoreticular metal-organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions. Chemical Science 10 (4) , pp. 1098-1106. 10.1039/C8SC03622E
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Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 and Lewis, Richard 2019. A review of recent advances in the direct synthesis of H2O2. ChemCatChem 11 (1) , pp. 298-308. 10.1002/cctc.201801435
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Ibáñez, J., Araque-Marin, M., Paul, S. and Pera-Titus, M. 2019. Direct amination of 1-octanol with NH3 over Ag-Co/Al2O3: promoting effect of the H2 pressure on the reaction rate. Chemical Engineering Journal 358 , pp. 1620-1630. 10.1016/j.cej.2018.10.021

Jackman, Eoin 2019. Oxidation catalysts for stain bleaching. PhD Thesis, Cardiff University.
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Jayaraman, Arumugam, Powell-Davies, Henry and Fontaine, Frédéric-Georges 2019. Revisiting the reduction of indoles by hydroboranes: A combined experimental and computational study. Tetrahedron 75 (14) , pp. 2118-2127. 10.1016/j.tet.2019.02.048
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Jian, Yanfei, Yu, Tingting, Jiang, Zeyu, Yu, Yanke, Douthwaite, Mark, Liu, Jingyin, Albilali, Reem and He, Chi 2019. In-depth understanding of the morphology effect of α-Fe2O3 on catalytic ethane destruction. ACS Applied Materials and Interfaces 11 (12) , pp. 11369-11383. 10.1021/acsami.8b21521
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Jiang, Shi, Ma, Changru, Muller, Eric, Pera-Titus, Marc, Jérôme, François and De Oliveira Vigier, Karine 2019. Selective synthesis of THF-derived amines from biomass-derived carbonyl compounds. ACS Catalysis 9 (10) , pp. 8893-8902. 10.1021/acscatal.9b03413

Jiang, Zeyu, Feng, Xiangbo, Deng, Jianlin, He, Chi, Douthwaite, Mark, Yu, Yanke, Liu, Jian, Hao, Zhengping and Zhao, Zhen 2019. Atomic-scale insights into the low-temperature oxidation of methanol over a single-atom Pt1-Co3O4 catalyst. Advanced Functional Materials 29 (31) , 1902041. 10.1002/adfm.201902041
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Jones, Corey 2019. Structural control in metal-organic frameworks. PhD Thesis, Cardiff University.
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Jones, Wilm, Wells, Peter P., Gibson, Emma K., Chutia, Arunabhiram, Silverwood, Ian P., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 2019. Carbidisation of Pd nanoparticles by ethene decomposition, with methane production. ChemCatChem 11 (17) , pp. 4334-4339. 10.1002/cctc.201900795
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Jossou, Ericmoore, Malakkal, Linu, Dzade, Nelson ORCID: https://orcid.org/0000-0001-7733-9473, Claisse, Antoine, Szpunar, Barbara and Szpunar, Jerzy 2019. DFT + U study of the adsorption and dissociation of water on clean, defective, and oxygen-covered U3Si2{001}, {110}, and {111} surfaces. Journal of Physical Chemistry C 123 (32) , pp. 19453-19467. 10.1021/acs.jpcc.9b03076
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Jue Bae, Youn, Krzyaniak, Matthew D., Majewski, Marek B., Desroches, Maude, Morin, Jean François, Wu, Yi Lin ORCID: https://orcid.org/0000-0003-0253-1625 and Wasielewski, Michael R. 2019. Competition between singlet fission and spin-orbit-induced intersystem crossing in anthanthrene and anthanthrone derivatives. ChemPlusChem 84 (9) , pp. 1432-1438. 10.1002/cplu.201900410
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Kabalan, Lara, Zagho, Moustafa M., Al-Marri, Mohammed J. and Khader, Mahmoud M. 2019. Experimental and theoretical studies on the mechanical and structural changes imposed by the variation of clay loading on poly(vinyl alcohol)/cloisite® 93A nanocomposites. Journal of Vinyl and Additive Technology 25 (2) , pp. 172-181. 10.1002/vnl.21650

Kalvaitis, Mindaugas E., Johnson, Luke A. ORCID: https://orcid.org/0000-0002-6697-6589, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840, Rizkallah, Pierre ORCID: https://orcid.org/0000-0002-9290-0369 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2019. A noncanonical chromophore reveals structural rearrangements of the light-oxygen-voltage domain upon photoactivation. Biochemistry 58 (22) , pp. 2608-2616. 10.1021/acs.biochem.9b00255
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Kalvaitis, Mindaugas Edvardas 2019. Mechanistic and structural studies of Light-Oxygen- Voltage (LOV) domain proteins. PhD Thesis, Cardiff University.
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Kaowphong, Sulawan, Choklap, Wimonnat, Chachvalvutikul, Auttaphon and Chandet, Nopakarn 2019. A novel CuInS2/m-BiVO4 p-n heterojunction photocatalyst with enhanced visible-light photocatalytic activity. Colloids and Surfaces A: Physicochemical and Engineering Aspects 579 , 123639. 10.1016/j.colsurfa.2019.123639

Khan, Zeyaur R., Midega, Charles A. O., Pittchar, Jimmy and Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 2019. Exploiting chemical ecology for developing novel integrated pest management strategies for Africa. Presented at: Indian Ecological Society International Conference 2016, Jammu, India, 18-20 Feb 2016. Published in: Peshin, Rajinder and Dhawan, Ashok eds. Natural Resource Management: Ecological Perspectives. Sustainability in Plant and Crop Protection. Sustainability in Plant and Crop Protection , vol.11354 Cham, Switzerland: Springer Nature Switzerland, pp. 165-183. 10.1007/978-3-319-99768-1_10

Khatoon, Saira, Vgenopoulou, Aggeliki, Naseer, Muhammad Moazzam, Shirinfar, Bahareh, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Dege, Necmi and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2019. Easy access to crystalline indolines via hydrogen bond transfer. Journal of Heterocyclic Chemistry 56 (4) , pp. 1388-1392. 10.1002/jhet.3516
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Kim, Jin Hyun, Hansora, Dharmesh, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Jang, Ji-Wook and Lee, Jae Sung 2019. Toward practical solar hydrogen production – an artificial photosynthetic leaf-to-farm challenge. Chemical Society Reviews 48 (7) , pp. 1908-1971. 10.1039/C8CS00699G

Kim, Min-Zy, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Kim, YoungJin, Alam, Syed Fakhar, Lee, Hye Ryeon and Cho, Churl Hee 2019. One-step template-free hydrothermal synthesis of partially Sr-incorporated hierarchical K-CHA zeolite microspheres. Microporous and Mesoporous Materials 286 , pp. 65-76. 10.1016/j.micromeso.2019.05.007

King, Helen E., Salisbury, Alistair, Huijsmans, Jasper, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and Plümper, Oliver 2019. Influence of inorganic solution components on lithium carbonate crystal growth. Crystal Growth and Design 19 (12) , pp. 6994-7006. 10.1021/acs.cgd.9b00782
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Knight, David W. 2019. Ring formation by 5-endo-dig Cyclization. Advances in Heterocyclic Chemistry, Vol. 127. Academic Press, pp. 1-100. (10.1016/bs.aihch.2018.09.004)

Ko, Myohwa, Pham, Le Thanh Mai, Sa, Young Jin, Woo, Jinwoo, Nguyen, Trang Vu Thien, Kim, Jae Hyung, Oh, Dongrak, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Ryu, Jungki, Shin, Tae Joo, Joo, Sang Hoon, Kim, Yong Hwan and Jang, Ji-Wook 2019. Unassisted solar lignin valorisation using a compartmented photo-electro-biochemical cell. Nature Communications 10 (1) , 5123. 10.1038/s41467-019-13022-7
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Koskamp, Janou A., Ruiz-Hernandez, Sergio E., Di Tommaso, Devis, Elena, Alin Marin, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Wolthers, Mariette 2019. Reconsidering calcium dehydration as the rate-determining step in calcium mineral growth. Journal of Physical Chemistry C 123 (44) , pp. 26895-26903. 10.1021/acs.jpcc.9b06403
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Kreplin, David A., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Werner, Hans-Joachim 2019. Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. Journal of Chemical Physics 150 (19) , 194106. 10.1063/1.5094644
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Kumar, M., Verma, S., Mishra, P.K. ORCID: https://orcid.org/0000-0003-1141-3487 and Verma, A.K. 2019. Cu(II)-mediated ortho-C-H amination of arenes with free amines. Journal of Organic Chemistry 84 (12) , pp. 8067-8079. 10.1021/acs.joc.9b00931

Kumar, Manoj, Verma, Shalini, Kumar, Anubhav, Mishra, Pawan K. ORCID: https://orcid.org/0000-0003-1141-3487, Ramabhadran, Raghunath O., Banerjee, Shibdas and Verma, Akjilesh K. 2019. Mechanistic insights of Cu(II)-mediated ortho-C--H amination of arenes by capturing fleeting intermediates and theoretical calculations. Chemical Communications 55 (63) , pp. 9359-9362. 10.1039/C9CC04317A

Latham, Daniel E., Polidano, Kurt, Williams, Jonathan M. J. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2019. One-pot conversion of allylic alcohols to α-methyl ketones via iron-catalyzed isomerization-methylation. Organic Letters 21 (19) , pp. 7914-7918. 10.1021/acs.orglett.9b02900
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Laudadio, Gabriele, Barmpoutsis, Efstathios, Schotten, Christiane, Struik, Lisa, Govaerts, Sebastian, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Noël, Timothy 2019. Sulfonamide synthesis through electrochemical oxidative coupling of amines and thiols. Journal of the American Chemical Society 141 (14) , pp. 5664-5668. 10.1021/jacs.9b02266
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Lemos, Bárbara C., Gilles, Vítor, Gonçalves, Gustavo R., de Castro, Eustáquio Vinícius R., Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Carneiro, José W. de M. and Greco, Sandro J. 2019. Synthesis, structure-activity relationship and evaluation of new non-polymeric chemical additives based on naphthoquinone derivatives as wax precipitation inhibitors and pour point depressants to petroleum. Fuel 220 , pp. 200-209. 10.1016/j.fuel.2018.01.121

Lewis, Richard, Ueura, Kenji, Fukuta, Yulimasa, Freakley, Simon, Kang, Liqun, Wang, Ryan, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Yasushi, Yamamoto and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2019. The direct synthesis of H2O2 using TS-1 supported catalysts. ChemCatChem 11 (6) , pp. 1673-1680. 10.1002/cctc.201900100
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Lewis, Richard J., Bara Estaun, Alejandro, Agarwal, Nishtha, Freakley, Simon J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. The direct synthesis of H2O2 and selective oxidation of methane to methanol using HZSM-5 supported AuPd catalysts. Catalysis Letters 149 (11) , pp. 3066-3075. 10.1007/s10562-019-02876-7
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Li, Xiaoliang, Feng, Jiangjiang, Sun, Jia, Wang, Zhe and Zhao, Wei 2019. Solvent-free catalytic oxidation of benzyl alcohol over Au-Pd bimetal deposited on TiO2: comparison of Rutile, Brookite, and Anatase. Nanoscale Research Letters 14 (1) , -. 10.1186/s11671-019-3211-8
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Li, J., Muller, E., Pera-Titus, M., Jérôme, F. and De Oliveira Vigier, K. 2019. Synthesis of functionalized tetrahydrofuran derivatives from 2,5-dimethylfuran through cascade reactions. Green Chemistry 21 (10) , pp. 2601-2609. 10.1039/C9GC01060B

Li, Gang, Wang, Shuaihua, Yang, Shufan, Liu, Guangfeng, Hao, Pin, Zheng, Yusen, Long, Guankui, Li, Dandan, Zhang, Yu, Yang, Wenbin, Xu, Liang, Gao, Weibo, Zhang, Qichun, Cui, Guanwei and Tang, Bo 2019. Synthesis, photophysical properties and two-photon absorption study of tetraazachrysene-based N-heteroacenes. Chemistry - An Asian Journal 14 (10) , pp. 1807-1813. 10.1002/asia.201801656
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Li, Gang, Yang, Shufan, Liu, Tao, Li, Jiewei, Yang, Wenbin, Luo, Zhenghui, Yan, Cenqi, Li, Dandan, Wang, Xinyu, Cui, Guanwei, Yang, Tao, Xu, Liang, Zhan, Shun-Ze, Huo, Lijun, Yan, He and Tang, Bo 2019. Functionalizing tetraphenylpyrazine with perylene diimides (PDIs) as high-performance nonfullerene acceptors. Journal of Materials Chemistry. C 7 (46) , pp. 14563-14570. 10.1039/C9TC05643B
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Li, X., Iqbal, M.A., Xu, M., Wang, Y.-C., Wang, H., Ji, M., Wan, X., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Liu, J., Liu, J., Rong, H., Chen, W., Kershaw, S.V., Haigh, S.J., Rogach, A.L., Xie, L. and Zhang, J. 2019. Au@HgxCd1-xTe core@shell nanorods by sequential aqueous cation exchange for near-infrared photodetectors. Nano Energy 57 , pp. 57-65. 10.1016/j.nanoen.2018.12.030

Li, Z., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Ma, X., Yu, Y., Young, R.J. and Burnett, T.L. 2019. The taxonomy of graphite nanoplatelets and the influence of nanocomposite processing. Carbon 142 , pp. 99-106. 10.1016/j.carbon.2018.10.043
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Loizzi, Marianna, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2019. Silent catalytic promiscuity in the high-fidelity terpene cyclase δ-cadinene synthase. Organic & Biomolecular Chemistry 17 (5) , pp. 1206-1214. 10.1039/C8OB02821D
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Lopes Ferreira, Lorena, Sarria, André Lucio Franceschini, de Oliveira Filho, Jaires Gomes, de Silva, Fernanda de Oliveira, Powers, Stephen J., Caulfield, John C., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A. and Borges, Lígia Miranda Ferreira 2019. Identification of a non-host semiochemical from tick-resistant donkeys (Equus asinus) against Amblyomma sculptum ticks. Ticks and Tick-borne Diseases 10 (3) , pp. 621-627. 10.1016/j.ttbdis.2019.02.006
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Luckham, Stephen L. J., Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 2019. Unravelling the photochemical transformations of chromium(I) 1,3 Bis(diphenylphosphino), [Cr(CO)4(dppp)]+, by EPR spectroscopy. Organometallics 38 (12) , -. 10.1021/acs.organomet.9b00226
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Macino, Margherita, Barnes, Alexandra J., Althahban, Sultan M., Qu, Ruiyang, Gibson, Emma K., Morgan, David J ORCID: https://orcid.org/0000-0002-6571-5731, Freakley, Simon J., Dimitratos, Nikolaos, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Gao, Xiang, Beale, Andrew M., Bethell, Donald, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Tuning of catalytic sites in Pt/TiO2 catalysts for chemoselective hydrogenation of 3-nitrostyrene. Nature Catalysis 2 , pp. 873-881. 10.1038/s41929-019-0334-3
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MacIno, Margherita 2019. Tuning the activity of supported metal catalysts. PhD Thesis, Cardiff University.
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Madura, Florian, Rizkallah, Pierre J. ORCID: https://orcid.org/0000-0002-9290-0369, Legut, Mateusz, Holland, Christopher J., Fuller, Anna, Bulek, Anna, Schauenburg, Andrea J., Trimby, Andrew, Hopkins, Jade R., Wells, Stephen A., Godkin, Andrew ORCID: https://orcid.org/0000-0002-1910-7567, Miles, John J., Sami, Malkit, Li, Yi, Liddy, Nathaniel, Jakobsen, Bent K., Loveridge, E. Joel, Cole, David K. ORCID: https://orcid.org/0000-0003-0028-9396 and Sewell, Andrew K. ORCID: https://orcid.org/0000-0003-3194-3135 2019. TCR-induced alteration of primary MHC peptide anchor residue. European Journal of Immunology 49 (7) , pp. 1052-1066. 10.1002/eji.201948085
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Mandal, Aritra, Schultz, Jonathan D., Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Coleman, Adam F., Young, Ryan M. and Wasielewski, Michael R. 2019. Transient two-dimensional electronic spectroscopy: coherent dynamics at arbitrary times along the reaction coordinate. Journal of Physical Chemistry Letters 10 , pp. 3509-3515. 10.1021/acs.jpclett.9b00826
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Mandal, Subrata, Nanavati, Sachin P. ORCID: https://orcid.org/0000-0002-5525-4329, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Ananthakrishnan, Rajakumar 2019. Photoactive Ag(I)-based coordination polymer as a potential semiconductor for photocatalytic water splitting and environmental remediation: experimental and theoretical approach. Journal of Physical Chemistry C 123 (39) , pp. 23940-23950. 10.1021/acs.jpcc.9b04957
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Manikandan, V., Tudorache, Florin, Petrila, Iulian, Mane, R.S., Kuncser, V., Vasile, Bogdan, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Vigneselvan, S. and Mirzaei, Ali 2019. Fabrication and characterization of Ru-doped LiCuFe2O4 nanoparticles and their capacitive and resistive humidity sensor applications. Journal of Magnetism and Magnetic Materials 474 , pp. 563-569. 10.1016/j.jmmm.2018.11.072
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Mannu, Alberto, Vlahopoulou, Gina, Urgeghe, Paolo, Ferro, Monica, Del Caro, Alessandra, Taras, Alessandro, Garroni, Sebastiano, Rourke, Jonathan P. ORCID: https://orcid.org/0000-0002-8961-1021, Cabizza, Roberto and Petretto, Giacomo L. 2019. Variation of the chemical composition of waste cooking oils upon bentonite filtration. Resources 8 (2) , 108. 10.3390/resources8020108
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Martins, Guilherme M., Meirinho, Anne G., Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251, Braga, Antonio L. and Mendes, Samuel R. 2019. Recent advances in electrochemical chalcogen (S/Se)‐functionalization of organic molecules. ChemElectroChem 6 (24) , pp. 5928-5940. 10.1002/celc.201901525

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2019. A green approach: vicinal oxidative electrochemical alkene difunctionalization [Cover Profile]. ChemElectroChem 6 (5) , p. 1254. 10.1002/celc.201801892
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Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2019. A green approach: Vicinal oxidative electrochemical alkene difunctionalization [Mini review]. ChemElectroChem 6 (5) , pp. 1300-1315. 10.1002/celc.201801466
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Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas, Murtaza, Ayesha and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2019. Organic electrosynthesis: electrochemical alkyne functionalization. Catalysis Science and Technology 9 (21) , pp. 5868-5881. 10.1039/C9CY01312A

Mazzei, Luca, Wenzel, Margot N. ORCID: https://orcid.org/0000-0001-6411-1816, Cianci, Michele, Palombo, Marta, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Ciurli, Stefano 2019. Inhibition mechanism of urease by Au(III) compounds unveiled by x-ray diffraction analysis. ACS Medicinal Chemistry Letters 10 (4) , pp. 564-570. 10.1021/acsmedchemlett.8b00585
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McGuire, Jake, Miras, Haralampos N., Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Sproules, Stephen 2019. Enabling single qubit addressability in a molecular semiconductor comprising gold-supported organic radicals. Chemical Science 10 (5) , pp. 1483-1491. 10.1039/C8SC04500C
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McKeown, Paul, Román-Ramírez, Luis A., Bates, Samuel, Wood, Joseph and Jones, Matthew D. 2019. Zinc complexes for PLA formation and chemical recycling: Towards a circular economy. ChemSusChem 12 (24) , pp. 5233-5238. 10.1002/cssc.201902755
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Mehdipour, Hamid, Smith, Brendan A., Rezakhani, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Prezhdo, Oleg V., Moshfegh, Alireza Z. and Akimov, Alexey V. 2019. Dependence of electron transfer dynamics on the number of graphene layers in ?-stacked 2D materials: insights from ab initio nonadiabatic molecular dynamics. Physical Chemistry Chemical Physics 10.1039/C9CP04100A
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Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2019. Frontiers in molecular p-block chemistry: From structure to reactivity. Science 363 (6426) , pp. 479-484. 10.1126/science.aau5105
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Mendhekar, Kishor L., Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799, Mallampudi, N. Arjunreddy and Mohapatra, Debendra K. 2019. Neighboring carbonyl group assisted hydration of unsymmetrical aryl alkynes overriding regular selectivity. European Journal of Organic Chemistry 2019 (33) , pp. 5787-5797. 10.1002/ejoc.201900941

Menkah, Elliot S., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Tia, Richard, Adei, Evans and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study. Applied Surface Science 480 , pp. 1014-1024. 10.1016/j.apsusc.2019.02.128
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Mezoughi, Aysha 2019. The synthesis and evaluation of novel soluble lytic transglycosylase inhibitors. PhD Thesis, Cardiff University.
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Michereff, Mirian F. F., Magalhães, Diego M., Hassemer, Marla J., Laumann, Raúl A., Zhou, Jing-Jiang, Ribeiro, Paulo E. de A., Viana, Paulo A., Guimarães, Paulo E. de O., Schimmelpfeng, Pedro H. C., Borges, Miguel, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A. and Blassioli-Moraes, Maria Carolina 2019. Variability in herbivore-induced defence signalling across different maize genotypes impacts significantly on natural enemy foraging behaviour. Journal of Pest Science 92 (2) , pp. 723-736. 10.1007/s10340-018-1033-6
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Middelkoop, V., Slater, T. ORCID: https://orcid.org/0000-0003-0372-1551, Florea, M., Nea?u, F., Danaci, S., Onyenkeadi, V., Boonen, K., Saha, B., Baragau, I.-A. and Kellici, S. 2019. Next frontiers in cleaner synthesis: 3D printed graphene-supported CeZrLa mixed-oxide nanocatalyst for CO2 utilisation and direct propylene carbonate production. Journal of Cleaner Production 214 , pp. 606-614. 10.1016/j.jclepro.2018.12.274

Miletic, Tanja, Biot, Nicolas, Demitri, Nicola, Brancato, Giuseppe, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. Leveraging fluorescent emission to unitary yield: dimerization of polycyclic aromatic hydrocarbons. Helvetica Chimica Acta 102 (3) , e1900004. 10.1002/hlca.201900004
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Minova, Ivalina B., Matam, Santhosh K., Greenaway, Alex, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Frogley, Mark D., Cinque, Gianfelice, Wright, Paul A. and Howe, Russell F. 2019. Elementary steps in the formation of hydrocarbons from surface methoxy groups in HZSM-5 seen by synchrotron infrared microspectroscopy. ACS Catalysis 9 (7) , pp. 6564-6570. 10.1021/acscatal.9b01820
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Mishra, P. K. ORCID: https://orcid.org/0000-0003-1141-3487, Verma, S., Kumar, M., Kumar, A. and Verma, A. K. 2019. Harnessing the reactivity of ortho-formyl-arylketones: base-promoted regiospecific synthesis of functionalized isoquinolines. Chemical Communications 55 (57) , pp. 8278-8281. 10.1039/c9cc03689j

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Molt, Robert W., Pellegrini, Erika and Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371 2019. A GAP-GTPase-GDP-Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers. Chemistry - A European Journal 25 (36) , pp. 8484-8488. 10.1002/chem.201901627
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2019. Imaging XPS for industrial applications. Journal of Electron Spectroscopy and Related Phenomena 231 , pp. 109-117. 10.1016/j.elspec.2017.12.008
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Naqvi, Sayed Tayyab Raza, Shirinfar, Bahareh, Hussain, Dilshad, Majeed, Saadat, Ashiq, Muhammad Naeem, Aslam, Yasin and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2019. Electrochemical sensing of ascorbic acid, hydrogen peroxide and glucose by bimetallic (Fe, Ni)-CNTs composite modified electrode. Electroanalysis 31 (5) , pp. 851-857. 10.1002/elan.201800768
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Nicolau, Guillermo, Tarantino, Giulia and Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 2019. Acceptorless alcohol dehydrogenation catalysed by Pd/C. ChemSusChem 12 (22) , pp. 4953-4961. 10.1002/cssc.201901313
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Olsson, Emilia, Cottom, Jonathon, Aparicio-Anglès, Xavier and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Computational study of the mixed B-site perovskite SmBxCo1-xO3-d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics 21 (18) , pp. 9407-9418. 10.1039/C9CP00995G
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Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Interaction of hydrogen with actinide dioxide (111) surfaces. Journal of Chemical Physics 150 (13) , 134701. 10.1063/1.5087577
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Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces. Journal of Physical Chemistry C 123 (1) , pp. 356-366. 10.1021/acs.jpcc.8b07823
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Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. Magnetic structure of UO2 and NpO2 by first-principle methods. Physical Chemistry Chemical Physics 21 (2) , pp. 760-761. 10.1039/C8CP03581D
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Qurban, Jihan, Elsherbini, Mohamed, Alharbi, Haifa and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Synthesis, characterisation, and reactivity of novel pseudocyclic hypervalent iodine reagents with heteroaryl carbonyl substituents. Chemical Communications 55 , pp. 7998-8000. 10.1039/C9CC03905H
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Rhys, Guto G., Wood, Christopher W., Beesley, Joseph L., Zaccai, Nathan R., Burton, Antony J., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2019. Navigating the structural landscape of de novo α-helical bundles. Journal of the American Chemical Society 141 (22) , pp. 8787-8797. 10.1021/jacs.8b13354

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Richards, Nia 2019. The catalytic decomposition of nitrous oxide. PhD Thesis, Cardiff University.
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Ritterskamp, Nadine 2019. An EPR and ENDOR investigation of a series of Cu(II) transition metal complexes. PhD Thesis, Cardiff University.
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Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2019. A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surface. Physical Chemistry Chemical Physics 10.1039/C8CP06371K
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Rondiya, Sachin, Jadhav, Yogesh, Nasane, Mamta, Jadkar, Sandesh and Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 2019. Interface structure and band alignment of CZTS/CdS heterojunction: An experimental and first-principles DFT investigation. Materials 12 (24) , 4040. 10.3390/ma12244040
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Rossignon, Alexandre and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2019. O-Annulation leading to five-, six-, and seven-membered cyclic diaryl ethers involving C-H cleavage. Synthesis 51 (19) , pp. 3588-3599. 10.1055/s-0037-1611892
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Rucinska, Emilia Maria 2019. Selective catalytic oxidation in the liquid phase by gold-palladium catalysts. PhD Thesis, Cardiff University.
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Ruiz Esquius, Jonathan 2019. Catalysis to produce solar fuels: From the production of hydrogen via water splitting, to hydrogen conversion to methanol by its reaction with CO2. PhD Thesis, Cardiff University.
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Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2019. Why are some enzymes dimers? flexibility and catalysis in Thermotoga maritima dihydrofolate reductase. ACS Catalysis 9 , pp. 5902-5911. 10.1021/acscatal.9b01250
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Saeed, Ibrahim Q. and Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 2019. Analysis of isothermal titration calorimetry data for complex interactions using I2CITC. Ennifar, Eric, ed. Microcalorimetry of Biological Molecules, Vol. 1964. Methods in Molecular Biology, Humana Press, pp. 169-183. (10.1007/978-1-4939-9179-2_13)

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Santos Hernandez, Alba, Lewis, Richard James, Malta, Grazia, Howe, Alexander, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Hampton, Euan, Gaskin, Paul and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. The direct synthesis of hydrogen peroxide over Au-Pd supported nanoparticles under ambient conditions. Industrial & Engineering Chemistry Research 58 (28) , pp. 12623-12631. 10.1021/acs.iecr.9b02211
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Sarma, Plaban Jyoti, Dey Baruah, Satyajit, Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X and Deka, Ramesh Chandra 2019. Hydride pinning pathway in the hydrogenation of CO2 into formic acid on dimeric tin dioxide. ChemPhysChem 20 (5) , pp. 680-686. 10.1002/cphc.201801194
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Saunders, Korrin 2019. Water purification by Catalytic Wet Air Oxidation (CWAO). PhD Thesis, Cardiff University.
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Saunders, Lucy K., Nowell, Harriott, Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Shepherd, Helena J., Teat, Simon J., Allan, David R., Raithby, Paul R. and Wilson, Chick C. 2019. Exploring short strong hydrogen bonds engineered in organic acid molecular crystals for temperature dependent proton migration behaviour using single crystal synchrotron X-ray diffraction (SCSXRD). CrystEngComm 21 (35) 10.1039/C9CE00925F
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Schlaeger, Stefanie, Pickett, John A ORCID: https://orcid.org/0000-0002-1008-6595 and Birkett, Michael A 2019. Prospects for management of whitefly using plant semiochemicals, compared with related pests. Pest Management Science 74 (11) , pp. 2405-2411. 10.1002/ps.5058
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Serhan, N., Tsolakis, A., Wahbi, A., Martos, F.J. and Golunski, S. ORCID: https://orcid.org/0000-0001-7980-8624 2019. Modifying catalytically the soot morphology and nanostructure in diesel exhaust: Influence of silver De-NOx catalyst (Ag/Al2O3). Applied Catalysis B: Environmental 241 , pp. 471-482. 10.1016/j.apcatb.2018.09.068
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Shah, Parag M., Burnett, Joseph W. H., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2019. Ceria-zirconia mixed metal oxides prepared via mechanochemical grinding of carbonates for the total oxidation of propane and naphthalene. Catalysts 9 (5) , p. 475. 10.3390/catal9050475
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Singh, Fateh V. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. 7. Selenium and tellurium electrophiles in organic synthesis. Laitinen, Risto and Oilunkaniemi, Raija, eds. Selenium and Tellurium Reagents: In Chemistry and Materials Science, De Gruyter, pp. 243-300. (10.1515/9783110529340-007)

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Smith, Keith, Hegazy, Amany S. and El-Hiti, Gamal A. 2019. The use of polymeric sulfides as catalysts for the para-regioselective chlorination of phenol and 2-chlorophenol. Journal of Sulfur Chemistry 41 (1) , pp. 1-12. 10.1080/17415993.2019.1688815
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Smith, Keith, Williams, Des and El-Hiti, Gamal A. 2019. Regioselective chlorination of phenols in the presence of tetrahydrothiopyran derivatives. Journal of Sulfur Chemistry 40 (5) , pp. 529-538. 10.1080/17415993.2019.1620230
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Soldatova, Natalia S., Postnikov, Pavel S., Yusubov, Mekhman S. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2019. Flow synthesis of iodonium trifluoroacetates through direct oxidation of iodoarenes by Oxone®. European Journal of Organic Chemistry 2019 (10) , pp. 2081-2088. 10.1002/ejoc.201900220
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South, Amy J., Geer, Ana M., Taylor, Laurence J., Sharpe, Helen R., Lewis, William, Blake, Alexander J. and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2019. Iron(II)-catalyzed hydroamination of isocyanates. Organometallics 38 (21) , 4115–4120. 10.1021/acs.organomet.9b00393

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Sun, Songmei, Watanabe, Motonori, Wang, Pangpang and Ishihara, Tatsumi 2019. Synergistic enhancement of H2 and CH4 evolution by CO2 photoreduction in water with reduced Graphene oxide–bismuth monoxide quantum dot catalyst. ACS Applied Energy Materials 2 (3) , pp. 2104-2112. 10.1021/acsaem.8b02153
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Zhu, Wen, Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755, Bisson, Claudine, Wenzel, Sabine, Nordin, Brian E., Martínez-Márquez, Francisco, Imasaki, Tsuyoshi, Sedelnikova, Svetlana E., Coricello, Adriana, Baumann, Patrick, Berry, Alexandria H., Nomanbhoy, Tyzoon K., Kozarich, John W., Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 2019. High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 , 345. 10.1038/s42003-019-0587-z
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Zhu, Diya, LaFortune, James H. W., Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Stephan, Douglas W. 2019. Electrophilic boron carboxylate and phosphinate complexes. Dalton Transactions 48 (6) , pp. 2038-2045. 10.1039/C8DT04818E
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Zivkovic, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203 2019. Computational investigations of copper oxides for solar cell applications. PhD Thesis, Cardiff University.
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Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H ORCID: https://orcid.org/0000-0002-8271-0545 and Dzade, Nelson Y ORCID: https://orcid.org/0000-0001-7733-9473 2019. First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. Journal of Physics: Condensed Matter 31 (26) , -. 10.1088/1361-648X/ab111c
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Abagale, Samson A., Woodcock, Christine M., Hooper, Antony M., Caulfield, John C., Withall, David, Chamberlain, Keith, Acquaah, Samuel O., Van-Emden, Helmut, Braimah, Haruna, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Birkett, Michael A. 2018. (2R,5S)-Theaspirane Identified as the Kairomone for the Banana Weevil, Cosmopolites sordidus, from Attractive Senesced Leaves of the Host Banana, Musa spp. Chemistry - a European Journal 24 (37) , pp. 9217-9219. 10.1002/chem.201800315
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Abayakoon, Palika, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Lingford, James P., Petricevic, Marija, John, Alan, Ryan, Eileen, Wai-Ying Mui, Janice, Pires, Douglas E.V., Ascher, David B., Davies, Gideon J., Goddard-Borger, Ethan D. and Williams, Spencer J. 2018. Structural and biochemical insights into the function and evolution of sulfoquinovosidases. ACS Central Science 4 (9) , pp. 1266-1273. 10.1021/acscentsci.8b00453
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Aher, Rahul, Bhorde, Ajinkya, Sharma, Priyanka, Nair, Shruthi, Borate, Haribhau, Pandharkar, Subhash, Rondiya, Sachin, Chaudhary, Minakshi, Gopinath, Chinnakonda, Suryawanshi, Sachin, More, Mahendra and Jadkar, Sandesh 2018. Hydrothermal synthesis of rGO–PbBi2Se4 composite and investigation of its structural, chemical and field emission properties. Journal of Materials Science: Materials in Electronics 29 (12) , pp. 10494-10503. 10.1007/s10854-018-9114-0

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Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 and Khatoon, Saira 2018. Facile electrochemical intramolecular amination of urea-tethered terminal alkenes for the synthesis of cyclic ureas. ChemistryOpen 7 (8) , pp. 576-582. 10.1002/open.201800064
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Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251, Khatoon, Saira and Shirinfar, Bahareh 2018. Radical diazidation of alkenes: Cu/Fe/Mn catalysis and electrochemical support. ChemElectroChem 5 (9) , pp. 1245-1248. 10.1002/celc.201800160
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Aikman, Brech, Wenzel, Margot ORCID: https://orcid.org/0000-0001-6411-1816, Mósca, Andreia, De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Klooster, Wim, Coles, Simon, Soveral, Graça and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2018. Gold(III) pyridine-benzimidazole complexes as aquaglyceroporin inhibitors and antiproliferative agents. Inorganics 6 (4) , 123. 10.3390/inorganics6040123
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Akimenko, S. S., Fefelov, V. F., Myshlyavtsev, A. V. and Stishenko, P. V. 2018. Remnants of the devil's staircase of phase transitions in the model of dimer adsorption at nonzero temperature. Physical Review B 97 (8) , 085408. 10.1103/PhysRevB.97.085408

Al-Wafi, Haider 2018. Synthesis and biological studies of cyclic peptides. PhD Thesis, Cardiff University.
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Albalawi, Karma 2018. A double competition dialysis assay for the analysis of the distribution of optoelectronically active components over nucleic acid structures. PhD Thesis, Cardiff University.
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Alqahtani, Huda 2018. Ab initio and force field investigations of physical hydrogen adsorption in Zeolitic Imidazole Frameworks. PhD Thesis, Cardiff University.
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Alshammari, Khaled 2018. Heterogeneous catalysis using supported metal nanoparticles for environmental applications. PhD Thesis, Cardiff University.
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Aniagyei, Albert, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Tia, Richard, Adei, Evans, Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics 20 (45) , p. 28685. 10.1039/C8CP02137F
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Aparicio Sanchez, Pablo ORCID: https://orcid.org/0000-0003-3719-7241, Dawson, James A., Islam, M. Saiful and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. A Computational study of NaVOPO4 polymorphs as cathode materials for Na-Ion batteries: Diffusion, electronic properties and cation doping behavior. Journal of Physical Chemistry C 122 (45) , pp. 25829-25836. 10.1021/acs.jpcc.8b07797
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Armstrong, Robert, Peneau, Virginie, Ritterskamp, Nadine, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2018. The role of copper speciation in the low temperature oxidative upgrading of short chain alkanes over Cu/ZSM-5 catalysts. ChemPhysChem 19 (4) , pp. 469-478. 10.1002/cphc.201701046
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Arratibel, A., Pacheco Tanaka, D.A., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Burnett, T.L., van Sint Annaland, M. and Gallucci, F. 2018. Unravelling the transport mechanism of pore-filled membranes for hydrogen separation. Separation and Purification Technology 203 , pp. 41-47. 10.1016/j.seppur.2018.04.016
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Arrigo, Rosa, Badmus, Kassim, Baletto, Francesca, Boeije, Maurits, Brinkert, Katharina, Bugaev, Aram, Bukhtiyarov, Valerii, Carosso, Michele, Catlow, C Richard ORCID: https://orcid.org/0000-0002-1341-1541, Chutia, Arunabhiram, Davies, Philip ORCID: https://orcid.org/0000-0003-4394-766X, de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Hargreaves, Justin, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Johnston, Roy, Lamberti, Carlo, Marbaix, Julien, Miranda, Caetano Rodrigues, Odarchenko, Yaroslav, Richards, Nia, Russell, Andrea, Selvam, Parasuraman, Sermon, Paul, Shah, Parag, Shevlin, Stephen, Shozi, Mzamo, Skylaris, Chris-Kriton, Soulantica, Katerina, Torrente-Murciano, Laura, Trunschke, Annette, van Santen, Rutger, Verga, Lucas Garcia, Whiston, Keith and Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 2018. Theory as a driving force to understand reactions on nanoparticles: general discussion. Faraday Discussions 208 , pp. 147-185. 10.1039/C8FD90013B
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Arrigo, Rosa, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Torrente-Murciano, Laura 2018. Highlights from faraday discussion on designing nanoparticle systems for catalysis, London, UK, May 2018. Chemical Communications 54 (68) , pp. 9385-9393. 10.1039/C8CC90324G
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Arroyo-Crespo, Juan J., Deladriere, Coralie, Nebot, Vicent J., Charbonnier, David, Masiá, Esther, Paul, Alison ORCID: https://orcid.org/0000-0002-7653-9964, James, Craig ORCID: https://orcid.org/0000-0002-0569-182X, Armiñán, Ana and Vicent, María J. 2018. Anticancer activity driven by drug linker modification in a polyglutamic acid-based combination-drug conjugate. Advanced Functional Materials 28 (22) , 1800931. 10.1002/adfm.201800931
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Arvanitidis, Athanasios G., Lim, Kie Zen, Havenith, Remco W. A. and Ceulemans, Arnout 2018. Valence bonds in elongated boron clusters. International Journal of Quantum Chemistry 118 (13) , e25575. 10.1002/qua.25575

Ayres, James 2018. Exploring new synthetic routes towards cyanamides. PhD Thesis, Cardiff University.
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Ayres, James N., Williams, Matthew, Tizzard, Graham J., Coles, Simon J., Ling, Kenneth B. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2018. Synthesis and reactivity of N-allenyl cyanamides. Organic Letters 20 (17) , pp. 5282-5285. 10.1021/acs.orglett.8b02225
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Baashen, Mohammed, Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2018. Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2. Zeitschrift für Kristallographie - New Crystal Structures 233 (4) , pp. 617-619. 10.1515/ncrs-2017-0375
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Bacic, Zlatko, Benoit, David, Besemer, Matthieu, Bowman, Joel, Bradforth, Stephen, Clary, David, Donovan, Robert, Fischer, Ingo, Gianturco, Francesco, Hochlaf, Majdi, Houston, Paul, Knowles, Peter ORCID: https://orcid.org/0000-0003-4657-6331, Leone, Stephen, Linguerri, Roberto, Manthe, Uwe, McCoy, Anne B., Petersen, Jens, Richardson, Jeremy, Shan, Xiao, Slaví?ek, Petr, Stoecklin, Thierry, Szalewicz, Krzysztof, van der Avoird, Ad, Wester, Roland, Worth, Graham and Zehnacker-Rentien, Anne 2018. Precise characterisation of isolated molecules: general discussion. Faraday Discussions 212 , pp. 137-155. 10.1039/C8FD90050G
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Bae, Youn Jue, Kang, Gyeongwon, Malliakas, Christos D., Nelson, Jordan N., Zhou, Jiawang, Young, Ryan M., Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Van Duyne, Richard P., Schatz, George C. and Wasielewski, Michael R. 2018. Singlet Fission in 9,10-Bis(phenylethynyl)anthracene thin films. Journal of the American Chemical Society 140 (45) , pp. 15140-15144. 10.1021/jacs.8b07498
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Bahruji, Hasliza, Armstrong, Robert D., Ruiz Esquius, Jonathan, Jones, Wilm, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Hydrogenation of CO2 to dimethyl ether over brønsted acidic PdZn catalysts. Industrial and Engineering Chemistry Research 57 (20) , pp. 6821-6829. 10.1021/acs.iecr.8b00230
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Bahruji, Hasliza, Esquius, Jonathan Ruiz, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Armstrong, Robert D. and Jones, Wilm 2018. Correction to: Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis 10.1007/s11244-018-1081-4
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Bahruji, Hasliza, Ruiz Esquius, Jonathan, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Armstrong, Robert D. and Jones, Wilm 2018. Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis 61 (3-4) , pp. 144-153. 10.1007/s11244-018-0885-6
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Baker, Anna B., Wass, Duncan F. ORCID: https://orcid.org/0000-0002-0356-7067 and Trask, Richard S. 2018. Thermally induced reversible and reprogrammable actuation of tough hydrogels utilising ionoprinting and iron coordination chemistry. Sensors and Actuators B: Chemical 254 , pp. 519-525. 10.1016/j.snb.2017.07.095
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Baletto, Francesca, Boeije, Maurits, Bordet, Alexis, Brinkert, Katharina, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Davies, Josh, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Guan, Shaoliang, Hardacre, Christopher, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Johnston, Roy, Lai, Stanley, Lamberti, Carlo, Marbaix, Julien, Miranda, Caetano Rodrigues, Nome, Rene, Peron, Jennifer, Quinson, Jonathan, Richards, Nia, Roesch, Notker, Russell, Andrea, Said, Said, Selvam, Parasuraman, Sermon, Paul, Shozi, Mzamo, Skylaris, Chris-Kriton, Spolaore, Federico, Walkerdine, James, Whiston, Keith and Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 2018. Application of new nanoparticle structures as catalysts: general discussion. Faraday Discussions 208 , pp. 575-593. 10.1039/C8FD90016G
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Ballard, Andrew, Ahmad, Hiwa O., Narduolo, Stefania, Rosa, Lucy, Chand, Nikki, Cosgrove, David A., Varkonyi, Peter, Asaad, Nabil, Tomasi, Simone, Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 and Leach, Andrew G. 2018. Quantitative prediction of rate constants for aqueous racemization to avoid pointless stereoselective syntheses. Angewandte Chemie International Edition 57 (4) , pp. 982-985. 10.1002/anie.201709163
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Behiry, Enas M., Ruiz-Pernia, J. Javier, Luk, Louis ORCID: https://orcid.org/0000-0002-7864-6261, Tunon, Inaki, Moliner, Vicent and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2018. Isotope substitution of promiscuous alcohol dehydrogenase reveals the origin of substrate preference in the transition state. Angewandte Chemie International Edition 57 (12) , pp. 3128-3131. 10.1002/anie.201712826
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Belli Dell'Amico, Daniela, Fioco, David ORCID: https://orcid.org/0000-0003-3714-2742, Labella, Luca, Marchetti, Fabio and Samaritani, Simona 2018. Clean oxidations by iodobenzene dichloride: Platinum(IV) complexes containing triphenylphosphine. Polyhedron 145 , pp. 63-69. 10.1016/j.poly.2018.01.033

Bezzu, Caterina Grazia, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, Ferrari, Maria-Chiara, Jansen, Johannes C., Monteleone, Marcello, Esposito, Elisa, Fuoco, Alessio, Hart, Kyle, Liyana-Arachchi, T. P., Colina, Coray M. and McKeown, Neil B. 2018. The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 6 (22) , pp. 10507-10514. 10.1039/C8TA02601G
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Biot, Nicolas and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2018. Programming recognition arrays through double chalcogen-bonding interactions. Chemistry - a European Journal 24 (21) , pp. 5439-5443. 10.1002/chem.201705428
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Bistoni, Giovanni, Polyak, Iakov ORCID: https://orcid.org/0000-0002-2894-0657, Sparta, Manuel, Thiel, Walter and Neese, Frank 2018. Toward accurate QM/MM reaction barriers with large QM regions using domain based pair natural orbital coupled cluster theory. Journal of Chemical Theory and Computation 14 (7) , pp. 3524-3531. 10.1021/acs.jctc.8b00348
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Black, Joshua A. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 2018. Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations. Journal of Chemical Physics 148 (19) , -. 10.1063/1.5006037
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Black, Joshua A. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 2018. Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory. Molecular Physics 116 (11) , pp. 1421-1427. 10.1080/00268976.2017.1400698
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Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Berezin, Andrey, Battisti, Tommaso and Biot, Nicolas 2018. Oxygen-doped zig-zag molecular ribbons. Angewandte Chemie - International Edition 57 (29) , pp. 8942-8946. 10.1002/anie.201803282
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Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Russo, Fabrizia, Terenzi, Alessio, Spinello, Angelo, Lauria, Antonino, Gennaro, Giuseppe, Almerico, Anna Maria, Keppler, Bernhard K. and Barone, Giampaolo 2018. The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA. Journal of Inorganic Biochemistry 178 , pp. 106-114. 10.1016/j.jinorgbio.2017.10.010

Boscutti, Giulia, Nardon, Chiara, Marchiò, Luciano, Crisma, Marco, Biondi, Barbara, Dalzoppo, Daniele, Dalla Via, Lisa, Formaggio, Fernando, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Fregona, Dolores 2018. Anticancer gold(III) peptidomimetics: from synthesis to in vitro and ex vivo biological evaluation. ChemMedChem 13 (11) , pp. 1131-1145. 10.1002/cmdc.201800098
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Bowden, Bethany, Davies, Matthew ORCID: https://orcid.org/0000-0002-8206-0730, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Roberts, Vaughan and Wotton, Daniel James 2018. The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups. Faraday Discussions 208 , pp. 455-470. 10.1039/C7FD00210F
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Brookes, Catherine, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Gibson, Emma K., Gianolio, Diego, Mohammed, Khaled M. H., Parry, Stephen, Rogers, Scott M., Silverwood, Ian P. and Wells, Peter 2018. Correction: In situ spectroscopic investigations of MoOx/Fe2O3 catalysts for the selective oxidation of methanol. Catalysis Science & Technology 8 (11) , p. 2998. 10.1039/C8CY90033G
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Buckeridge, J., Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Farrow, M. R., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Scanlon, D. O., Keal, T. W., Sherwood, P., Woodley, S. M., Sokol, A. A. and Walsh, A. 2018. Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides. Physical Review Materials 2 (5) , -. 10.1103/PhysRevMaterials.2.054604
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Buckingham, Mark A., Cunningham, William, Bull, Steven D., Buchard, Antoine, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 and Marken, Frank 2018. Electrochemically driven C-H hydrogen abstraction processes with the tetrachloro-phthalimido-N-oxyl (Cl4PINO) catalyst. Electroanalysis 30 (8) , pp. 1698-1705. 10.1002/elan.201800147
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Cadi-Essadek, Abdelaziz, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. Stability and mobility of supported Nin (n = 1-10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study. Faraday Discussions 208 , pp. 87-104. 10.1039/C7FD00217C
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Callison, J., Subramanian, N.D., Rogers, S.M., Chutia, A., Gianolio, D., Catlow, C.R.A. ORCID: https://orcid.org/0000-0002-1341-1541, Wells, P.P. and Dimitratos, N. ORCID: https://orcid.org/0000-0002-6620-4335 2018. Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles. Applied Catalysis B: Environmental 238 , pp. 618-628. 10.1016/j.apcatb.2018.07.008
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Callison, June, Rogers, Scott, Subramanian, Nachal, Gianolio, Diegio, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Wells, Peter and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 2018. Directed Glycerol reforming through tailored platinum nanoparticles. Presented at: 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, USA, 18-22 March 2018. Abstracts of Papers of the American Chemical Society. , vol.255 American Chemical Society, p. 373.

Campisi, Sebastiano, Sanchez Trujillo, Felipe Juan, Motta, Davide, Davies, Thomas, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 and Villa, Alberto 2018. Controlling the incorporation of phosphorus functionalities on carbon nanofibers: effects on the catalytic performance of fructose dehydration. C 4 (1) , 9. 10.3390/c4010009
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Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225, Howard, Joseph L., Crawford, Deborah E., James, Stuart L. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2018. Translating solid state organic synthesis from a mixer mill to a continuous twin screw extruder. Green Chemistry 20 (19) , pp. 4443-4447. 10.1039/C8GC02036A
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Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225, Howard, Joseph L., Wheatley, Emilie and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2018. Mechanochemical activation of zinc and application to Negishi cross-coupling. Angewandte Chemie International Edition 57 (35) , pp. 11339-11343. 10.1002/anie.201806480
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Carboni, Silvia, Zucca, Antonio, Stoccoro, Sergio, Maiore, Laura, Arca, Massimiliano, Ortu, Fabrizio, Artner, Christian, Keppler, Bernhard K., Meier-Menches, Samuel M., Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Cinellu, Maria Agostina 2018. New variations on the theme of gold(III) C^N^N cyclometalated complexes as anticancer agents: Synthesis and biological characterization. Inorganic Chemistry 10.1021/acs.inorgchem.8b02604
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Carpenter, Barry K. ORCID: https://orcid.org/0000-0002-5470-0278, Ezra, Gregory S., Farantos, Stavros C., Kramer, Zeb C. and Wiggins, Stephen 2018. Dynamics on the double morse potential: a paradigm for roaming reactions with no saddle points. Regular and Chaotic Dynamics 23 (1) , pp. 60-79. 10.1134/S1560354718010069
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Carter, James H. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Recent advances in the gold-catalysed low-temperature water-gas shift reaction. Catalysts 8 (12) , p. 627. 10.3390/catal8120627
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Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2018. Medicinal chemistry of gold anticancer metallodrugs. Sigel, Astrid, Sigel, Helmut, Freisinger, Eva and Sigel, Roland K. O., eds. Metallo-Drugs: Development and Action of Anticancer Agents, Vol. 18. Metal Ions in Life Sciences, Walter de Gruyter GmbH, pp. 199-217.

Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384 and Oberkofler, Jens 2018. Organometallic gold-based anticancer therapeutics. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, pp. 1-10. (10.1016/B978-0-12-409547-2.14350-1)

Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541 2018. The structural science of functional materials. IUCrJ 5 (1) , pp. 1-3. 10.1107/S2052252517018474
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Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X 2018. Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1-5, 147) and monometallic Au and Ag low-energy surfaces. European Physical Journal B 91 , 32. 10.1140/epjb/e2017-80280-7
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Cattaneo, Stefano, Freakley, Simon, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2018. Cinnamaldehyde hydrogenation using Au-Pd catalysts prepared by sol immobilisation. Catalysis Science and Technology 8 , pp. 1677-1685. 10.1039/C7CY02556D
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Cattaneo, Stefano 2018. Towards the continuous production of supported metal nanoparticles and their application in hydrogenation reactions. PhD Thesis, Cardiff University.
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Cerrato, Erik, Gionco, Chiara, Berruti, Ilaria, Sordello, Fabrizio, Calza, Paola and Paganini, Maria Cristina 2018. Rare earth ions doped ZnO: synthesis, characterization and preliminary photoactivity assessment. Journal of Solid State Chemistry 264 , pp. 42-47. 10.1016/j.jssc.2018.05.001

Cerrato, Erik, Gionco, Chiara, Paganini, Maria Cristina, Giamello, Elio, Albanese, Elisa and Pacchioni, Gianfranco 2018. Origin of visible light photoactivity of the CeO2/ZnO heterojunction. ACS Applied Energy Materials 1 (8) , pp. 4247-4260. 10.1021/acsaem.8b00887

Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan E., Williams, P. Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2018. Insights into the crystallization and structural evolution of glycine dihydrate by in situ solid-state NMR spectroscopy. Angewandte Chemie International Edition 57 (22) , pp. 6619-6623. 10.1002/anie.201801114
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Chaffey, Dawn R., Davies, Thomas, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Graham, Andrew E. 2018. Etherification reactions of furfuryl alcohol in the presence of orthoesters and ketals: application to the synthesis of furfuryl ether biofuels. ACS Sustainable Chemistry & Engineering 6 (4) , pp. 4996-5002. 10.1021/acssuschemeng.7b04636
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Cheruiyot, Duncan, Midega, Charles A.O., Van den Berg, Johnnie, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Khan, Zeyaur R. 2018. Suitability of brachiaria grass as a trap crop for management of Chilo partellus. Entomologia Experimentalis et Applicata 166 (2) , pp. 139-148. 10.1111/eea.12651
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Cheruiyot, Duncan, Aura Odhiambo Midega, Charles, Van den Berg, Johnnie, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Rahman Khan, Zeyaur 2018. Genotypic responses of brachiaria grass (brachiaria spp.) accessions to drought stress. Journal of Agronomy 17 (3) , pp. 136-146. 10.3923/ja.2018.136.146
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Cheruiyot, Duncan, Midega, Charles A.O., Ueckermann, Edward A., Van den Berg, Johnnie, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595 and Khan, Zeyaur R. 2018. Genotypic response of brachiaria (Urochloa spp.) to spider mite (Oligonychus trichardti ) (Acari: Tetranychidae) and adaptability to different environments. Field Crops Research 225 , pp. 163-169. 10.1016/j.fcr.2018.06.011
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Chi Fru, Ernest ORCID: https://orcid.org/0000-0003-2673-0565, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain ORCID: https://orcid.org/0000-0001-9066-7244, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 and Broman, Curt 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 8 10.5194/se-2017-113
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Chi Fru, Ernest ORCID: https://orcid.org/0000-0003-2673-0565, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 and Broman, Curt 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 9 (3) , pp. 573-598. 10.5194/se-9-573-2018
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Choudhuri, Khokan, Pramanik, Milan, Mandal, Arkalekha and Mal, Prasenjit 2018. S−H⋅⋅⋅π Driven Anti-Markovnikov Thiol-Yne Click Reaction. Asian Journal of Organic Chemistry 7 (9) , pp. 1849-1855. 10.1002/ajoc.201800381

Chow, Ying Kit, Dummer, Nicholas ORCID: https://orcid.org/0000-0002-0946-6304, Carter, James, Meyer, Randall, Armstrong, Robert, Williams, Christopher, Shaw, Greg, Jacobs, Sara, Bhasin, Madan, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2018. A kinetic study of methane partial oxidation over FeZSM-5 using N2O as an oxidant. ChemPhysChem 19 (4) , pp. 402-411. 10.1002/cphc.201701202
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Chow, Ying Kit, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Carter, James, Williams, Christopher, Shaw, Greg, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Yacob, Sarah, Meyer, Randall J., Bhasin, Madan and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2018. Investigating the influence of acid sites in continuous methane oxidation with N2O over Fe/MFI zeolites. Catalysis Science and Technology 2018 (8) , pp. 154-163. 10.1039/C7CY01769C
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Chow, Ying Kit 2018. Continuous gas phase methane oxidation using nitrous oxide over Fe-based zeolite. PhD Thesis, Cardiff University.
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Christofidou, K.A., Pickering, E.J., Orsatti, P., Mignanelli, P.M., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Stone, H.J. and Jones, N.G. 2018. On the influence of Mn on the phase stability of the CrMnxFeCoNi high entropy alloys. Intermetallics 92 , pp. 84-92. 10.1016/j.intermet.2017.09.011
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Chu, J., Young, R. J., Slater, T. J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Burnett, T. L., Coburn, B. and Li, Z. 2018. Axial reinforcement of unidirectional composites by self-aligned graphene. Presented at: 18th European Conference on Composite Materials (ECCM 2018), Athens, Greece, 24-28 June 2018. Proceedings of 18th European Conference on Composite Materials. Applied Mechanics Laboratory,

Chu, J., Young, R.J., Slater, T.J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Burnett, T.L., Coburn, B., Chichignoud, L., Vuilleumier, A. and Li, Z. 2018. Realizing the theoretical stiffness of graphene in composites through confinement between carbon fibers. Composites Part A: Applied Science and Manufacturing 113 , pp. 311-317. 10.1016/j.compositesa.2018.07.032
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Chutia, Arunabhiram, Willock, David J ORCID: https://orcid.org/0000-0002-8893-1090 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2018. The electronic properties of Au clusters on CeO2(110) surface with and without O-defects. Faraday Discussions 208 , pp. 123-145. 10.1039/C8FD00002F
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Coles, N. T. ORCID: https://orcid.org/0000-0001-6190-9080, Mahon, M. F. and Webster, R. L. 2018. 1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination. Chemical Communications 54 (74) , pp. 10443-10446. 10.1039/C8CC05890C

Collier, T.A., Nash, A., Birch, H.L. and De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2018. Effect on the mechanical properties of type I collagen of intra-molecular lysine-arginine derived advanced glycation end-product cross-linking. Journal of Biomechanics 67 , pp. 55-61. 10.1016/j.jbiomech.2017.11.021
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Compagnoni, Matteo, Villa, Alberto, Bahdori, Elnaz, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Prati, Laura, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Rossetti, Ilenia and Ramis, Gianguido 2018. Surface probing by spectroscopy on titania-supported gold nanoparticles for a photoreductive application. Catalysts 8 (12) , p. 623. 10.3390/catal8120623
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Constantin, Aurora, Nieva De La Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310 and Atkinson, Aurora 2018. Using persona as lenses for a reference model. Presented at: HCI '18 32nd International BCS Human Computer Interaction Conference, Belfast, UK, 4-6 July 2018. HCI '18 Proceedings of the 32nd International BCS Human Computer Interaction Conference. ACM Digital Library: BCS Learning & Development Ltd., Swindon, UK, 10.14236/ewic/HCI2018.138
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Cosgrave, Stella 2018. Effect of organic co-solvents on the NMR chemical shifts and dynamics of dihydrofolate reductase from E. coli. MPhil Thesis, Cardiff University.
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Couzi, Michel, Guillaume, François and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2018. A phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 5 (6) , -. 10.1098/rsos.180058
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Craco, L., Freelon, B., Alafailakawi, A. M., Karki, B. and Leoni, S ORCID: https://orcid.org/0000-0003-4078-1000 2018. Site-selective electronic structure of pure and doped Ca2 O3 Fe3 S2. Physical Review B 98 (4) , -. 10.1103/PhysRevB.98.045130
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Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2018. Microscopic description of localization-delocalization transitions in BaFe2S3. Physical Review B 98 (19) , -. 10.1103/PhysRevB.98.195107
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Craco, L., Pereira, T. A. da Silva, Ferreira, S. R., Carara, S. S. and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2018. Kondo-semimetal to Fermi-liquid phase crossover in black phosphorus to pressure-induced orbital-nematic gray phosphorus. Physical Review B 98 (3) , -. 10.1103/PhysRevB.98.035114
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Curran, Christopher D., Lu, Li, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and McIntosh, Steven 2018. Ambient temperature aqueous synthesis of ultrasmall copper doped ceria nanocrystals for the water gas shift and carbon monoxide oxidation reactions. Journal of Materials Chemistry A 6 (1) , pp. 244-255. 10.1039/C7TA07665G
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D'Agostino, Carmine, Armstrong, Robert David, Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 and Gladden, Lynn F. 2018. Product inhibition in the glycerol oxidation over Au/TiO2 catalyst quantified by NMR relaxation. ACS Catalysis 8 (8) , pp. 7334-7339. 10.1021/acscatal.8b01516
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Damoyi, Nkululeko E., Friedrich, Holger B., Kruger, Gert H. and Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 2018. A DFT mechanistic study of the ODH of n -hexane over isolated H 3 VO 4. Molecular Catalysis 452 , pp. 83-92. 10.1016/j.mcat.2018.03.019
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Davies, Thomas Edward, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Graham, Andrew Edward 2018. Nanoporous aluminosilicate-catalyzed telescoped acetalization-direct aldol reactions of acetals with 1,3-dicarbonyl compounds. ACS Omega 3 (11) , pp. 15482-15491. 10.1021/acsomega.8b02047
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Davies, Catherine, Thompson, Kate, Cooper, Anna, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624, Taylor, Stuart H ORCID: https://orcid.org/0000-0002-1933-4874, Bogarra Macias, Maria, Doustdar, Omid and Tsolakis, Athanasios 2018. Simultaneous removal of NOx and soot particulate from diesel exhaust by in-situ catalytic generation and utilisation of N2O. Applied Catalysis B: Environmental 239 , pp. 10-15. 10.1016/j.apcatb.2018.07.072
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Davies, Dafydd, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624, Johnston, Peter, Lalev, Georgi and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2018. Dominant effect of support wettability on the reaction pathway for Catalytic Wet Air Oxidation over Pt and Ru nano-particle catalysts. ACS Catalysis 10.1021/acscatal.7b04039
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De Cesare, Virginia, Johnson, Clare, Barlow, Victoria, Hastie, James, Knebel, Axel and Trost, Matthias 2018. The MALDI-TOF E2/E3 ligase assay as universal tool for drug discovery in the ubiquitin pathway. Cell Chemical Biology 25 (9) , pp. 1117-1127. 10.1016/j.chembiol.2018.06.004
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Decarolis, Donato, Lezcano-Gonzalez, Ines, Gianolio, Diego and Beale, Andrew M. 2018. Effect of particle size and support type on Pd catalysts for 1,3-butadiene hydrogenation. Topics in Catalysis 61 (3-4) , pp. 162-174. 10.1007/s11244-018-0887-4
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Di Maria, Francesca, Zangoli, Mattia, Gazzano, Massimo, Fabiano, Eduardo, Gentili, Denis, Zanelli, Alberto, Fermi, Andrea, Bergamini, Giacomo, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Perinot, Andrea, Caironi, Mario, Mazzaro, Raffaello, Morandi, Vittorio, Gigli, Giuseppe, Liscio, Andrea and Barbarella, Giovanna 2018. Controlling the functional properties of oligothiophene crystalline nano/microfibers via tailoring of the self-assembling molecular precursors. Advanced Functional Materials 28 (32) , 1801946. 10.1002/adfm.201801946
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Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 and Villa, Alberto 2018. Metal-free functionalized carbons in catalysis: synthesis, characterization and applications. Royal Society of Chemistry.

Diwate, Kiran, Rondia, Sachin, Mayabadi, Azam, Rokade, Avinash, Waykar, Ravindra, Borate, Haribhau, Funde, Adinath, Shinde, Manish, Rajedra Prasad, M. B., Pathan, Habib and Jadkar, Sandesh 2018. Chemical spray pyrolysis synthesis of covellite copper sulphide (CuS) thin films for economical counter electrode for DSSCs. Journal of Materials Science: Materials in Electronics 29 (6) , pp. 4940-4947. 10.1007/s10854-017-8453-6

Dixon, Timothy 2018. Catalytic exhaust gas reforming of hydrocarbon fuels. PhD Thesis, Cardiff University.
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Dodekatos, Georgios, Abis, Laura, Freakley, Simon, Tüysüz, Harun and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2018. Glycerol oxidation using MgO and Al2O3 supported gold and gold-palladium nanoparticles prepared in the absence of polymer stabilisers. ChemCatChem 10 (6) , pp. 1351-1359. 10.1002/cctc.201800074
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Donovan-Sheppard, Oliver 2018. Electrochemical and shell-isolated nanoparticle enhanced Raman spectroscopy (SHINERS) approaches to probing novel catalytic nanomaterials. PhD Thesis, Cardiff University.
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Du, Jonathan J., Hanrahan, Jane R., Solomon, V. Raja, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Hibbs, David E. 2018. Exploring the binding of barbital to a synthetic macrocyclic receptor. A charge density study. Journal of Physical Chemistry A 122 (11) , pp. 3031-3044. 10.1021/acs.jpca.7b11674
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Du, Jonathan J., Stanton, Stephen A., Williams, Peter A., Ong, Jennifer A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Hibbs, David E 2018. Using electron density to predict synthon formation in a 4-hydroxybenzoic acid : 4,4'-bipyridine co-crystal. Crystal Growth and Design 18 (3) , pp. 1786-1798. 10.1021/acs.cgd.7b01676
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Du, Jonathan, Lai, Felcia, Váradi, Linda, Williams, Peter, Groundwater, Paul, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Hibbs, David and Overgaard, Jacob 2018. Monoclinic paracetamol vs. paracetamol-4,4'-bipyridine co-crystal; what is the difference? a charge density study. Crystals 8 (1) , -. 10.3390/cryst8010046
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Dumon, Alexandre S., Wang, Tao, Ibañez, Javier, Tomer, Ajay, Yan, Zhen, Wischert, Raphael, Sautet, Philippe, Pera-Titus, Marc and Michel, Carine 2018. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science and Technology 8 (2) , pp. 611-621. 10.1039/C7CY02208E

Dürüst, Yasar, Karakus, Hamza, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Knight, David W. 2018. Some reactions of 2-(4-substitutedphenyl)-2-(N-methyl-N-4-substitutedbenzamido) acetic acids. Synthetic Communications 48 (17) , pp. 2206-2220. 10.1080/00397911.2018.1489966
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Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite. Environmental Science: Processes and Impacts 20 (6) , pp. 977-987. 10.1039/C7EM00608J
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Dzade, Nelson ORCID: https://orcid.org/0000-0001-7733-9473 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. Adsorption and desulfurization mechanism of thiophene on layered FeS (001), (011) and (111) surfaces: A DFT-D2 study. Journal of Physical Chemistry C 122 (1) , pp. 359-370. 10.1021/acs.jpcc.7b08711
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Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 and Nevin, Adam C. 2018. Metal nodes and metal sites in metal-organic frameworks. Patmore, Nathan J. and Elliott, Paul I. P., eds. Organometallic Chemistry: Volume 42, Vol. 42. SPR - Organometallic Chemistry, pp. 54-79. (10.1039/9781788010672-00054)

Edwards, Peter G. ORCID: https://orcid.org/0000-0001-6999-753X, Newman, Paul David ORCID: https://orcid.org/0000-0002-1808-1211, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Liyanage, Sudantha, Pothupitiya, Thusith, Wickramatunga, Lenali and Chevalier, Edith 2018. Halide and substituent dependent structural variation in copper(I) halide complexes of 1,5,9-triphosphacyclododecanes. Dalton Transactions 47 (45) , pp. 16126-16131. 10.1039/C8DT03072C
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El-Hiti, Gamal A., Smith, Keith, Alamri, Mesfer, Morris, Ceri A., Kille, Peter ORCID: https://orcid.org/0000-0001-6023-5221 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 5-Bromo-1-(4-bromophenyl)isatin. IUCrData 3 (3) , x180426. 10.1107/S2414314618004261
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 2-({6-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]imidazo[2,1-b]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate. IUCrData 3 (1) 10.1107/S2414314618000871
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. (E)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one. IUCrData 3 (1) 10.1107/S241431461800069X
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. (E)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]acrylonitrile. IUCrData 3 (1) 10.1107/S2414314618001712
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. (E)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one. IUCrData 3 (1) 10.1107/S2414314617018417
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate. IUCrData 3 (8) 10.1107/S2414314618011069
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. Sodium 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate. IUCrData 3 (8) 10.1107/S2414314618011276
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 5-Methyl-1-(4-methyl­phen­yl)-N′-[1-(1H-pyrrol-2-yl)ethyl­­idene]-1H-1,2,3-triazole-4-carbohydrazide monohydrate. IUCrData 3 (8) , -. 10.1107/S2414314618011628
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 5-Methyl-1-(4-methylphenyl)-N?-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 3 (10) 10.1107/S2414314618013792
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1H-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate. IUCrData 3 (10) 10.1107/S2414314618013780
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone. IUCrData 3 (3) 10.1107/S2414314618004029
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole. IUCrData 3 (3) 10.1107/S2414314618004492
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole. IUCrData 3 (3) 10.1107/S2414314618004431
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 5-Methyl-N'-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 3 (3) 10.1107/S2414314618004248
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. (E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one. IUCrData 3 (6) 10.1107/S2414314618008416
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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 2-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole. IUCrData 3 (7) 10.1107/S2414314618009665
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El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)thiazole. IUCrData 3 (1) 10.1107/S2414314618000366
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El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. Ethyl (Z)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate. IUCrData 3 (1) 10.1107/S2414314617018521
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El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. Ethyl 1-phenyl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate. IUCrData 3 (1) , x171840. 10.1107/S2414314617018405
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. 1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea. IUCrData 3 (1) 10.1107/S2414314618000457
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. Methyl N-(2-bromo-4-chlorophenyl)carbamate. IUCrData 3 (1) 10.1107/S2414314618000548
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. 1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea. IUCrData 3 (1) 10.1107/S2414314618000408
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2018. S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate. IUCrData 3 (1) 10.1107/S2414314618000299
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Elsherbini, Mohamed and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2018. Mechanochemical synthesis of N-tert-butanesulfinyl imines under metal-free conditions. Tetrahedron 74 (25) , pp. 3101-3106. 10.1016/j.tet.2017.11.028
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Elsherbini, Mohamed and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2018. Hypervalent iodine reagents by anodic oxidation: a powerful green synthesis. Chemistry - a European Journal 24 (51) , pp. 13399-13407. 10.1002/chem.201801232
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Engel, Rebecca V., Alsaiari, Raiedhah, Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Pattisson, Samuel, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Oxidative carboxylation of 1-decene to 1,2-decylene carbonate. Topics in Catalysis 61 (5-6) , pp. 509-518. 10.1007/s11244-018-0900-y
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Engel, Rebecca V., Niemeier, Johannes, Fink, Anja and Rose, Marcus 2018. Unravelling the mechanism of the Ru/C-catalysed isohexide and ether isomerization by hydrogen isotope exchange. Advanced Synthesis and Catalysis 360 (12) , p. 2358. 10.1002/adsc.201800058

Essadek, Abdelaziz Cadi, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Aparicio-Anglès, Xavier and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. CO2 and H2 adsorption and reaction at Nin/YSZ(111) interfaces: a density functional theory study. Journal of Physical Chemistry C 122 (34) , pp. 19463-19472. 10.1021/acs.jpcc.8b03488
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Fadeeva, A. I., Gorbunov, V. A. and Stishenko, P. V. 2018. Modeling of self-assembling monolayer of terephthalic acid and iron on the copper surface: intermolecular interactions and the ground state. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 26 February - 02 March 2018. AIP Conference Proceedings. , vol.2007 American Institute of Physics, 10.1063/1.5051848

Fancelli, Marilene, Borges, Miguel, Laumann, Raul A, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A. and Blassioli-Moraes, Maria C. 2018. Attractiveness of host plant volatile extracts to the Asian citrus psyllid, diaphorina citri, is reduced by terpenoids from the non-host cashew. Journal of Chemical Ecology 44 (4) , pp. 397-405. 10.1007/s10886-018-0937-1
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Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovitch, Nathan R., Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Coogan, M. P. 2018. Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone. Dalton Transactions 47 (11) , pp. 3906-3912. 10.1039/C7DT04744D
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Feng, Ling, Chhabra, Mohit, So, Wing Ho, Zhu, Qing, Xia, Jiang and Sun, Hongyan 2018. A proximity-induced covalent fluorescent probe for selective detection of bromodomain 4. Chinese Chemical Letters 29 (7) , pp. 1147-1150. 10.1016/j.cclet.2018.05.031

Fioramonte, Mariana, de Jesus, Hugo Cesar Ramos, Ferrari, Allan Jhonathan Ramos, Lima, Diogo Borges, Drekener, Roberta Lopes, Correia, Carlos Roque Duarte, Gonzaga De Oliveira, Luciana, Neves-Ferreira, Ana Gisele da Costa, Carvalho, Paulo Costa and Gozzo, Fabio Cesar 2018. XPlex: an effective, multiplex cross-linking chemistry for acidic residues. Analytical Chemistry 90 (10) , pp. 6043-6050. 10.1021/acs.analchem.7b05135

Flack, Timothy 2018. The development of novel techniques to analyse particle diffusion in battery materials: The case of lithiated and sodiated olivine phosphates. PhD Thesis, Cardiff University.
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Fletcher, Jordan M., Horner, Katherine A., Bartlett, Gail J., Rhys, Guto G., Wilson, Andrew J. and Woolfson, Derek N. 2018. De novocoiled-coil peptides as scaffolds for disrupting protein–protein interactions. Chemical Science 9 (39) , pp. 7656-7665. 10.1039/C8SC02643B
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Folgueiras-Amador, Ana A., Qian, Xiang-Yang, Xu, Haichao and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2018. Catalyst- and supporting electrolyte-free electrosynthesis of benzothiazoles and thiazolopyridines in continuousf flow. Chemistry - A European Journal 24 (2) , pp. 487-491. 10.1002/chem.201705016
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Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Bloh, Jonathan Zacharias, Armstrong, Katherine Louise, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, Lu, Li, Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Smith, Ronald I, McLaughlin, Abbie C. and Macphee, Donald E. 2018. Improving the selectivity of photocatalytic NOx abatement through improved O2 reduction pathways using Ti0.909W0.091O2Nx semiconductor nanoparticles: from characterisation to photocatalytic performance. ACS Catalysis 8 (8) , pp. 6927-6938. 10.1021/acscatal.8b00521
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Fuoco, Alessio, Comesaña-Gándara, Bibiana, Longo, Mariagiulia, Esposito, Elisa, Monteleone, Marcello, Rose, Ian, Bezzu, C. Grazia, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, McKeown, Neil B. and Jansen, Johannes C. 2018. Temperature dependence of gas permeation and diffusion in triptycene-based ultrapermeable polymers of intrinsic microporosity. ACS Applied Materials and Interfaces 10 (42) , pp. 36475-36482. 10.1021/acsami.8b13634

Galaverna, Renan, Fernandes, Lucas P., Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Pastre, Julio C. 2018. Continuous flow processing as a tool for the generation of terpene-derived monomer libraries. Reaction Chemistry and Engineering 4 (2) , pp. 362-367. 10.1039/C8RE00237A
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Galloway, Johanna M., Senior, Laura, Fletcher, Jordan M., Beesley, Joseph L., Hodgson, Lorna R., Harniman, Robert L., Mantell, Judith M., Coombs, Jennifer, Rhys, Guto G., Xue, Wei-Feng, Mosayebi, Majid, Linden, Noah, Liverpool, Tanniemola B., Curnow, Paul, Verkade, Paul and Woolfson, Derek N. 2018. Bioinspired silicification reveals structural detail in self-assembled peptide cages. ACS Nano 12 (2) , pp. 1420-1432. 10.1021/acsnano.7b07785

Galvanin, Federico, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Cattaneo, Stefano, Bethell, Donald, Dua, Vivek, Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 and Gavriilidis, Asterios 2018. On the development of kinetic models for solvent-free benzyl alcohol oxidation over a gold-palladium catalyst. Chemical Engineering Journal 342 , pp. 196-210. 10.1016/j.cej.2017.11.165
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Gao, Xiang, Zheng, Cheng-hang, Sagawa, Takashi, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Wu, Changyu and Tronconi, Enrico 2018. Air pollution control for a green future. Journal of Zhejiang University-SCIENCE A 19 (1) , pp. 1-4. 10.1631/jzus.A17EU001
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Garner, Alistair, Baxter, Felicity, Frankel, Philipp, Topping, Matthew, Harte, Allan, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Tejland, Pia, Romero, Javier, Darby, Edward, Cole-Baker, Aiden, Gass, Mhairi and Preuss, Michael 2018. Investigating the effect of zirconium oxide microstructure on corrosion performance: A comparison between neutron, proton, and nonirradiated oxides. Presented at: 18th International Symposium on Zirconium in the Nuclear Industry, Hilton Head, SC, US, 15-19 May 2016. Published in: Comstock, Robert J. and Motta, Arthur T. eds. Zirconium in the Nuclear Industry: 18th International Symposium. , vol.STP 15 pp. 491-523. 10.1520/STP159720160069

Garza-Sanchez, R. Aleyda, Patra, Tuhin, Tlahuext-Aca, Adrian, Strieth-Kalthoff, Felix and Glorius, Frank 2018. DMSO as a switchable alkylating agent in heteroarene C-H functionalization. Chemistry - A European Journal 24 (40) , pp. 10064-10068. 10.1002/chem.201802352

Gee, William J., Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Cameron, Christopher A., Stubbs, Clare, Warren, Mark R., Burrows, Andrew D. and Raithby, Paul R. 2018. Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography. Inorganic Chemistry 57 (9) , pp. 4959-4965. 10.1021/acs.inorgchem.7b03218
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Geesi, Mohammed H., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2018. Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S. Zeitschrift für Kristallographie - New Crystal Structures 233 (4) , pp. 673-674. 10.1515/ncrs-2018-0002
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Giles, Cicely 2018. Selective oxidation of alkyl aromatics by bimetallic heterogeneous catalysts. PhD Thesis, Cardiff University.
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Gines, Laia ORCID: https://orcid.org/0000-0001-9980-054X, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Lewis, Ryan, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Borri, Paola ORCID: https://orcid.org/0000-0002-7873-3314, Morley, Gavin W. and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 2018. Production of metal-free diamond nanoparticles. ACS Omega 3 (11) , pp. 16099-16104. 10.1021/acsomega.8b02067
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Gobaille-Shaw, Gael P. A., Celorrio, Veronica, Calvillo, Laura, Morris, Louis J., Granozzi, Gaetano and Fermín, David. J. 2018. Effect of Ba content on the activity of La1-x Ba x MnO3 towards the oxygen reduction reaction. ChemElectroChem 5 (14) , pp. 1922-1927. 10.1002/celc.201800052
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Godfrey, Harry G. W., da Silva, Ivan, Briggs, Lydia, Carter, Joseph H., Morris, Christopher G., Savage, Mathew, Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642, Manuel, Pascal, Murray, Claire A., Tang, Chiu C., Frogley, Mark D., Cinque, Gianfelice, Yang, Sihai and Schröder, Martin 2018. Ammonia storage by reversible host-guest site exchange in a robust metal-organic framework. Angewandte Chemie International Edition 57 (45) , pp. 14778-14781. 10.1002/anie.201808316
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Gómez-Hortigüela, Luis, Corà, Furio and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2018. Modeling hydrocarbon oxidation mechanisms catalyzed by microporous materials. Catlow, C. Richard A., Van Speybroek, Veronique and Van Santen, Rutger, eds. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials, Elsevier, pp. 265-295. (10.1016/B978-0-12-805057-6.00008-9)

Goswami, Subhadip, Nelson, Jordan N., Islamoglu, Timur, Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Farha, Omar K. and Wasielewski, Michael R. 2018. Photoexcited naphthalene diimide radical anion linking the nodes of a metal-organic framework: a heterogeneous super-reductant. Chemistry of Materials 30 (8) , pp. 2488-2492. 10.1021/acs.chemmater.8b00720
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Gregolinska, Hanna, Majewski, Marcin, Chmielewski, Piotr J., Gregolinski, Janusz, Chien, Alan, Zhou, Jiawang, Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Bae, Youn Jue, Wasielewski, Michael R., Zimmerman, Paul M. and Stepien, Marcin 2018. Fully conjugated [4] chrysaorene. Redox-coupled anion binding in a tetraradicaloid macrocycle. Journal of the American Chemical Society 140 (43) , pp. 14474-14480. 10.1021/jacs.8b09385
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Groves, Christopher ORCID: https://orcid.org/0000-0002-5873-1119, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and Thomas, P. John 2018. Second-generation biofuels: exploring imaginaries via deliberative workshops with farmers. Journal of Responsible Innovation 5 (2) , pp. 149-169. 10.1080/23299460.2017.1422926
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Groves, Lara M., Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 2018. Synthesis and characterisation of fluorescent aminophosphines and their coordination to gold(i). Dalton Transactions 47 (28) , pp. 9324-9333. 10.1039/C8DT02256A
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Guadix Montero, Susana and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 2018. Review on catalytic cleavage of C-C inter-unit linkages in lignin model compounds: Towards lignin depolymerisation. Topics in Catalysis 61 (3-4) , pp. 183-198. 10.1007/s11244-018-0909-2
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Guan, Shaoliang, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Gibson, Emma K, Lennon, David, Rossi, Giovanni E., Winfield, John, Callison, June, Wells, Peter P. and Willock, David J ORCID: https://orcid.org/0000-0002-8893-1090 2018. Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene. Faraday Discussions 208 , pp. 67-85. 10.1039/C8FD00005K
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Hallett, Andrew J., Placet, Emeline, Prieux, Roxane, McCafferty, Danielle, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Lloyd, David ORCID: https://orcid.org/0000-0002-5656-0571, Isaacs, Marc, Hayes, Anthony J., Coles, Simon J., Pitak, Mateusz B., Marchant, Sarah, Marriott, Stephen N., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830, Dervisi, Athanasia ORCID: https://orcid.org/0000-0002-0590-5496 and Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 2018. Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity. Dalton Transactions 47 (40) , pp. 14241-14253. 10.1039/C8DT00669E
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Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674, Padovan, Daniele and Tarantino, Giulia 2018. Porous metallosilicates for heterogeneous, liquid-phase catalysis: perspectives and pertaining challenges. Royal Society Open Science 5 (2) , 171315. 10.1098/rsos.171315
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Han, Jiaying, Rader, Andreas, Reichart, Florian, Aikman, Brech, Wenzel, Margot Nina ORCID: https://orcid.org/0000-0001-6411-1816, Woods, Ben, Weinmüller, Michael, Ludwig, Beatrice S., Sturup, Stefan, Groothuis, Geny M.M., Permentier, Hjalmar P., Bischoff, Rainer, Kessler, Horst, Horvatovich, Péter and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2018. Bioconjugation of supramolecular metallacages to integrin ligands for targeted delivery of cisplatin. Bioconjugate Chemistry 29 (11) , pp. 3856-3865. 10.1021/acs.bioconjchem.8b00682
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Hao, Cai-Hong, Guo, Xiao-Ning, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Yang, Hong, Ma, Ben, Zhang, Yue-Fei, Tong, Xi-Li, Jin, Guo-Qiang and Guo, Xiang-Yun 2018. Synergistic effect of segregated Pd and Au nanoparticles on semiconducting SiC for efficient photocatalytic hydrogenation of nitroarenes. ACS Applied Materials and Interfaces 10 (27) , pp. 23029-23036. 10.1021/acsami.8b04044
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Hardie, Duncan 2018. On the subject of phase transitions and thermoelectric properties. PhD Thesis, Cardiff University.
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Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2018. Memory of chirality as a prominent pathway for the synthesis of natural products through chiral intermediates. ChemistryOpen 7 (6) , pp. 484-487. 10.1002/open.201800061
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Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2018. Advances in electro- and sono-microreactors for chemical synthesis. RSC Advances 8 (39) , pp. 22233-22249. 10.1039/C8RA03406K
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 2018. Understanding solid-state photoswitching in [ReIJOMe2-bpy)IJCO)3IJη1-NO2)] crystals via in situ photocrystallography. CrystEngComm 20 (39) , 5990. 10.1039/C8CE00774H
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Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Skelton, Jonathan M., Warren, Mark R., Stubbs, Clare, da Silva, E. Lora and Raithby, Paul R. 2018. Monitoring photo-induced population dynamics in metastable linkage isomer crystals: a crystallographic kinetic study of [Pd(Bu4dien)NO2]BPh4. Physical Chemistry Chemical Physics 20 (8) 10.1039/C7CP05422J
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He, Chi, Jiang, Zeyu, Ma, Mudi, Zhang, Xiaodong, Douthwaite, Mark, Shi, Jian-Wen and Hao, Zhengping 2018. Understanding the promotional effect of Mn2O3 on micro-/mesoporous hybrid silica nanocubic-supported Pt catalysts for the low-temperature destruction of methyl ethyl ketone: An experimental and theoretical study. ACS Catalysis 8 (5) , pp. 4213-4229. 10.1021/acscatal.7b04461
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Henderson, J., Masino, M., Hatcher, L. E. ORCID: https://orcid.org/0000-0002-1549-9727, Kociok-Köhn, G., Salzillo, T., Brillante, A., Raithby, P. R., Girlando, A. and Da Como, E. 2018. New polymorphs of perylene: tetracyanoquinodimethane charge transfer cocrystals. Crystal Growth and Design 18 (4) , pp. 2003-2009. 10.1021/acs.cgd.7b01391
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Hill, Stephen A., Benito-Alifonso, David, Davis, Sean A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Berry, Monica and Galan, M. Carmen 2018. Practical three-minute synthesis of acid-coated fluorescent carbon dots with tuneable core structure. Scientific Reports 8 , 12234. 10.1038/s41598-018-29674-2
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Hokamp, Tobias, Mollari, Leonardo, Wilkins, Lewis C., Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2018. Alternative strategies with iodine: fast access to previously inaccessible iodine(III) compounds. Angewandte Chemie International Edition 57 (27) , pp. 8306-8309. 10.1002/anie.201804642
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Hou, Qing, Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2018. Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies. Journal of Materials Chemistry. C 6 (45) , p. 12386. 10.1039/C8TC04760J
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Howard, Joseph 2018. Exploring mechanochemistry for organic synthesis. PhD Thesis, Cardiff University.
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Howard, Joseph L., Brand, Michael C. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2018. Switching chemoselectivity: using mechanochemistry to alter reaction kinetics. Angewandte Chemie International Edition 57 (49) , pp. 16104-16108. 10.1002/anie.201810141
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Howard, Joseph L., Sagatov, Yerbol and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2018. Mechanochemical electrophilic fluorination of liquid beta-ketoesters. Tetrahedron 74 (25) , pp. 3118-3123. 10.1016/j.tet.2017.11.066
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Howard, Joseph, Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225 and Browne, Duncan ORCID: https://orcid.org/0000-0002-8604-229X 2018. Mechanochemistry as an emerging tool for molecular synthesis: what can it offer? Chemical Science 9 (12) , pp. 3080-3094. 10.1039/C7SC05371A
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Howe, Alexander 2018. Heterogeneous nanoalloyed precious metal catalysts. PhD Thesis, Cardiff University.
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Howe, Alexander, Miedziak, Peter, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Strasser, Peter and Edwards, Jennifer Kelly ORCID: https://orcid.org/0000-0003-4089-2827 2018. One pot microwave synthesis of highly stable AuPd@Pd supported core-shell nanoparticles. Faraday Discussions 208 , pp. 409-425. 10.1039/C8FD00004B
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Hughes, Colan E, Williams, Andrew, Kariuki, Benson M ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2018. Establishing the transitory existence of amorphous phases in crystallization pathways by the CLASSIC NMR technique. ChemPhysChem 19 (24) , pp. 3341-3345. 10.1002/cphc.201800976
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Hughes, Colan Evan, Boughdiri, Ines, Bouakkaz, Clement, Williams, Philip Andrew and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2018. Elucidating the crystal structure of DL-Arginine by combined powder X-ray diffraction data analysis and periodic DFT-D calculations. Crystal Growth and Design 18 (1) , pp. 42-46. 10.1021/acs.cgd.7b01412
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Hughes, Robert 2018. Analysis of conformational behaviour exhibited by dihydrofolate reductase during catalysis. PhD Thesis, Cardiff University.
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Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541 2018. Designing heterogeneous catalysts. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474 (2216) , 20180514. 10.1098/rspa.2018.0514
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Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Catlow, C.R. ORCID: https://orcid.org/0000-0002-1341-1541 and Turner, Nicholas 2018. Providing sustainable catalytic solutions for a rapidly changing world [RETRACTED]. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474 (2215) , 20180414. 10.1098/rspa.2018.0414
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Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Heterogeneous gold catalysis. ACS Central Science 4 (9) , pp. 1095-1101. 10.1021/acscentsci.8b00306
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Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Iqbal, Sarwat, Miedziak, Peter, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827 and He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 2018. Selective hydrogenation of levulinic acid using Ru/C catalysts prepared by sol-immobilsation. Topics in Catalysis 61 (9-11) , pp. 833-843.
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Huynh, Florence, Grundy, Daniel J., Jenkins, Robert L., Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2018. Sesquiterpene synthase-catalysed formation of a new medium-sized cyclic terpenoid ether from farnesyl diphosphate analogues. Chembiochem 19 (17) , pp. 1834-1838. 10.1002/cbic.201800218
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Ibáñez, J., Kusema, B. T., Paul, S. and Pera-Titus, M. 2018. Ru and Ag promoted Co/Al2O3 catalysts for the gas-phase amination of aliphatic alcohols with ammonia. Catalysis Science and Technology 8 (22) , pp. 5858-5874. 10.1039/C8CY01334A

Islam, Muhammad, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Shafiq, Zahid, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2018. Efficient electrosynthesis of thiazolidin-2-imines via oxysulfurization of thiourea-tethered terminal alkenes using the flow microreactor. European Journal of Organic Chemistry 10.1002/ejoc.201801688
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Jiang, S., Verrier, C., Ahmar, M., Lai, J., Ma, C., Muller, E., Queneau, Y., Pera-Titus, M., Jérôme, F. and De Oliveira Vigier, K. 2018. Unveiling the role of choline chloride in furfural synthesis from highly concentrated feeds of xylose. Green Chemistry 20 (22) , pp. 5104-5110. 10.1039/C8GC02260G

Jiang, Zeyu, He, Chi, Dummer, Nicholas Frank ORCID: https://orcid.org/0000-0002-0946-6304, Shi, Jianwen, Tian, Mingjiao, Ma, Chunyan, Hao, Zhengping, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Ma, Mudi and Shen, Zhenxing 2018. Insight into the efficient oxidation of methyl-ethyl-ketone over hierarchically micro-mesostructured Pt/K-(Al)SiO 2 nanorod catalysts: Structure-activity relationships and mechanism. Applied Catalysis B: Environmental 226 , pp. 220-233. 10.1016/j.apcatb.2017.12.007
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Jiao, Yilai, Adedigba, Abdul-Lateef, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Miedziak, Peter J., Brett, Gemma Louise, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647, Liu, Jinmin and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2018. Inter-connected and open pore hierarchical TS-1 with controlled framework titanium for catalytic cyclohexene epoxidation. Catalysis Science and Technology 8 , pp. 2211-2217. 10.1039/C7CY02571H
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Jiao, Yilai, Xu, Shaojun, Jiang, Chunhai, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647, Fan, Xiaolei and Zhang, Jinsong 2018. MFI zeolite coating with intrazeolitic aluminum (acidic) gradient supported on SiC foams to improve the methanol-to-propylene (MTP) reaction. Applied Catalysis A: General 559 , pp. 1-9. 10.1016/j.apcata.2018.04.006
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Jobbins, Samuel A., Boulfelfel, Salah Eddine and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2018. Metashooting: a novel tool for free energy reconstruction from polymorphic phase transition mechanisms. Faraday Discussions 211 , pp. 235-251. 10.1039/C8FD00053K
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Johnson, Luke A. ORCID: https://orcid.org/0000-0002-6697-6589, Robertson, Angus J., Baxter, Nicola J., Trevitt, Clare R., Bisson, Claudine, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Wood, Henry P., Hounslow, Andrea M., Cliff, Matthew J., Blackburn, G. Michael, Bowler, Matthew W. and Waltho, Jonathan P. 2018. van der Waals contact between nucleophile and transferring phosphorus is insufficient to achieve enzyme transition-state architecture. ACS Catalysis 8 (9) , pp. 8140-8153. 10.1021/acscatal.8b01612
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Jones, Daniel, Iqbal, Sarwat, Thomas, Liam, Ishikawa, Satoshi, Reece, Christian, Miedziak, Peter, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Bartley, Jonathan ORCID: https://orcid.org/0000-0003-4640-541X, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Ueda, Wataru and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 2018. xNi–yCu–ZrO2 catalysts for the hydrogenation of levulinic acid to gamma valorlactone. Catalysis, Structure & Reactivity 4 (1) , pp. 12-23. 10.1080/2055074X.2018.1433598
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Jones, Christopher 2018. Investigations of the Z-selective sesquiterpene cyclase; 7-epizingiberene synthase. PhD Thesis, Cardiff University.
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Jones, Michael, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Scott, John and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2018. Zinc promoted alumina catalysts for the fluorination of chlorofluorocarbons. Journal of Catalysis 364 , pp. 102-111. 10.1016/j.jcat.2018.05.012
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Jossou, Ericmoore, Eduok, Ubong, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Szpunar, Barbara and Szpunar, Jerzy A. 2018. Oxidation behaviour of U3Si2: an experimental and first principles investigation. Physical Chemistry Chemical Physics 20 (7) , pp. 4708-4720. 10.1039/C7CP07154J
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Jürgens, Sophie, E. Kühn, Fritz and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 2018. Cyclometalated complexes of platinum and gold with biological properties: state-of-the-art and future perspectives. Current Medicinal Chemistry 25 (4) , pp. 437-461. 10.2174/0929867324666170529125229
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Kalash, Leen, Cresser-Brown, Joel, Habchi, Johnny, Morgan, Connor, Miller, David J., Glen, Robert C., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 and Bender, Andreas 2018. Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space. European Journal of Medicinal Chemistry 157 , pp. 1264-1275. 10.1016/j.ejmech.2018.08.049
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Kanitkar, Swarom, Carter, James H., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Ding, Kunlun and Spivey, James J. 2018. Low temperature direct conversion of methane using a solid superacid. ChemCatChem 10 (21) , pp. 5033-5038. 10.1002/cctc.201801310
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Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 2018. Asymmetric cationic phosphines: synthesis, coordination chemistry, and reactivity. Inorganic Chemistry 57 (15) , pp. 9554-9563. 10.1021/acs.inorgchem.8b01657
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Kayumova, T. R. and Stishenko, P. V. 2018. Qualitative DFT study of lateral interactions between nitrogen molecules adsorbed on a V3C2 MXene sheet. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 26 February - 02 March 2018. AIP Conference Proceedings. , vol.2007 American Institute of Physics, 020014. 10.1063/1.5051853

Keane, Lee-Ann, Mirallai, Styliana, Sweeney, Martin, Carty, Michael, Zissimou, Georgia, Berezin, Andrey, Koutentis, Panayiotis and Aldabbagh, Fawaz 2018. Anti-cancer activity of Phenyl and Pyrid-2-yl 1,3-substituted Benzo[1,2,4]triazin-7-ones and stable free radical precursors. Molecules 23 (3) , 574. 10.3390/molecules23030574
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Kellici, Suela, Acord, John, Moore, Katherine E., Power, Nicholas P., Middelkoop, Vesna, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Heil, Tobias, Coppo, Paolo, Baragau, Ioan-Alexandru and Raston, Colin L. 2018. Continuous hydrothermal flow synthesis of graphene quantum dots. Reaction Chemistry and Engineering 3 (6) , pp. 949-958. 10.1039/C8RE00158H
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Kennedy, Julia ORCID: https://orcid.org/0000-0003-4482-6392, Bahruji, Hasliza, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Bouleghlimat, Emir and Issarapanacheewin, Sudarat 2018. Hydrogen generation by photocatalytic reforming of potential biofuels: polyols, cyclic alcohols and saccharides. Journal of Photochemistry and Photobiology A: Chemistry 356 , pp. 451-456. 10.1016/j.jphotochem.2018.01.031
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Khan, Imtiaz, Reed-Berendt, Benjamin G., Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2018. FLP-catalyzed transfer hydrogenation of silyl enol ethers. Angewandte Chemie International Edition 57 (38) , pp. 12356-12359. 10.1002/anie.201808800
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Khan, Zeyaur R., Pittchar, Jimmy O., Midega, Charles A. O. and Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 2018. Push-pull farming system controls fall armyworm: lessons from Africa. Outlooks on Pest Management 29 (5) , pp. 220-224. 10.1564/v29_oct_09
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Khoj, Manal A., Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 2018. Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid. Acta Crystallographica Section C: Structural Chemistry 74 (8) , pp. 923-928. 10.1107/S2053229618009269
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Kluza, Anna, Niedzialkowska, Ewa, Kurpiewska, Katarzyna, Wojdyla, Zuzanna, Quesne, Matthew, Kot, Ewa, Porebski, Przemyslaw J. and Borowski, Tomasz 2018. Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. Journal of Structural Biology 202 (3) , pp. 229-235. 10.1016/j.jsb.2018.01.007
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Knighton, Richard C., Emerson-King, Jack, Rourke, Jonathan P. ORCID: https://orcid.org/0000-0002-8961-1021, Ohlin, C. André and Chaplin, Adrian B. 2018. Solution, solid-state, and computational analysis of agostic interactions in a coherent set of low-coordinate rhodium(III) and iridium(III) complexes. Chemistry - A European Journal 24 (19) , pp. 4927-4938. 10.1002/chem.201705990
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Koczor, Sándor, Szentkirályi, Ferenc, Vuts, József, Caulfield, John C., Withall, David M., Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A. and Tóth, Miklós 2018. Conspecific and heterogeneric lacewings respond to (Z)-4-tridecene identified from Chrysopa formosa (Neuroptera: Chrysopidae). Journal of Chemical Ecology 44 (2) , pp. 137-146. 10.1007/s10886-017-0920-2
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Kondrat, Simon A., Smith, Paul J., Lu, Li, Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Spencer, Michael S., Kelly, Gordon J., Park, Colin W., Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Preparation of a highly active ternary Cu-Zn-Al oxide methanol synthesis catalyst by supercritical CO 2 anti-solvent precipitation. Catalysis Today 317 , pp. 12-20. 10.1016/j.cattod.2018.03.046
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Kormondy, Kristy J., Cho, Yujin, Posadas, Agham B., Zheng, Lu, Lai, Keji, Wang, Qingxiao, Kim, Moon J., He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Borisevich, Albina Y., Downer, Michael C. and Demkov, Alexander A. 2018. Piezoelectric modulation of nonlinear optical response in BaTiO3 thin film. Applied Physics Letters 113 (13) , 132902. 10.1063/1.5045460
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Kou, Kevin G. M., Pflueger, Jason J, Kiho, Toshihiro, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531, Fisher, Ethan L., Clagg, Kyle, Lebold, Terry P, Kisunzu, Jessica K and Sarpong, Richmond 2018. A benzyne insertion approach to hetisine-type diterpenoid alkaloids: synthesis of cossonidine (davisine). Journal of the American Chemical Society 140 (26) , pp. 8105-8109. 10.1021/jacs.8b05043
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Kumi, David O., Dlamini, Mbongiseni W., Phaahlamohlaka, Tumelo N., Mhlanga, Sabelo D., Coville, Neil J. and Scurrell, Mike S. 2018. Selective CO methanation over Ru supported on carbon spheres: the effect of carbon functionalization on the reverse water gas shift reaction. Catalysis Letters 148 (11) , 3502. 10.1007/s10562-018-2546-6
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Kumi, David O., Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Mangezvo, Ian T., Mhlanga, Sabelo D., Scurrell, Michael S. and Coville, Neil J. 2018. Effect of a titania covering on CNTS as support for the Ru catalysed selective CO methanation. Applied Catalysis B: Environmental 232 , pp. 492-500. 10.1016/j.apcatb.2018.02.016
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Langdon-Jones, Emily E., Ward, Benjamin ORCID: https://orcid.org/0000-0003-1406-5940 and Pope, Simon ORCID: https://orcid.org/0000-0001-9110-9711 2018. Synthesis and luminescence properties of cyclometalated iridium(III) complexes incorporating conjugated benzotriazole units. Journal of Organometallic Chemistry 861 , pp. 234-243. 10.1016/j.jorganchem.2018.02.019
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Lazauskas, Tomas, Sokol, Alexey A., Buckeridge, John, Catlow, C Richard A ORCID: https://orcid.org/0000-0002-1341-1541, Escher, Susanne G. E. T., Farrow, Matthew R., Mora-Fonz, David, Blum, Volker W., Phaahla, Tshegofatso M., Chauke, Hasani R., Ngoepe, Phuti E. and Woodley, Scott M. 2018. Thermodynamically accessible titanium clusters TiN, N = 2–32. Physical Chemistry Chemical Physics 20 , pp. 13962-13973. 10.1039/C8CP00406D
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Leal, Walter S., Harvey, Deborah J., Vuts, József, Hooper, Antony, Finch, Paul, Woodcock, Christine M., Caulfield, John C., Kadej, Marcin, Smolis, Adrian, Withall, David M., Henshall, Sarah, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Gange, Alan C. and Birkett, Michael A. 2018. Environmentally vulnerable noble chafers exhibit unusual pheromone-mediated behaviour. PLoS ONE 13 (11) , e0206526. 10.1371/journal.pone.0206526
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Lee, Sung Su, Kim, Young-Min, Lee, Hyun-Jae, Seo, Okkyun, Jeong, Hu Young, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Borisevich, Albina Y., Kang, Boyoun, Kwon, Owoong, Kang, Seunghun, Kim, Yunseok, Koo, Tae Yeong, Rhyee, Jong-Soo, Noh, Do Young, Cho, Beongki, Seo, Ji Hui, Lee, Jun Hee and Jo, Ji Young 2018. Correlation between Geometrically induced oxygen octahedral tilts and multiferroic behaviors in BiFeO3 films. Advanced Functional Materials 28 (19) , 1800839. 10.1002/adfm.201800839
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Leung, P., Tsolakis, A., Golunski, Stanislaw E. ORCID: https://orcid.org/0000-0001-7980-8624, Herreros, J.M. and Wyszynski, M.L. 2018. Using catalytic heat recovery to improve efficiency of gasoline spark ignition engines. Johnson Matthey Technology Review 62 (4) , pp. 407-416. 10.1595/205651318X15318154729616
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Li, Fengqi, Li, Wei, Lin, Yong-Jun, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael A., Wu, Kongming, Wang, Guirong and Zhou, Jing-Jiang 2018. Expression of lima bean terpene synthases in rice enhances recruitment of a beneficial enemy of a major rice pest. Plant, Cell & Environment 41 (1) , pp. 111-120. 10.1111/pce.12959
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Li, Gang, Zhao, Jianfeng, Yang, Shufan, Li, Yongxin, Rakesh, Ganguly and Zhang, Qichun 2018. Photooxidation of a twisted isoquinolinone. Chemistry - An Asian Journal 13 (3) , pp. 250-254. 10.1002/asia.201701674
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Li, Weiwei, Gu, Junxing, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Zhang, Kelvin H. L., Wang, Chunchang, Jin, Kuijuan, Wang, Yongqiang, Acosta, Matias, Wang, Haiyan, Borisevich, Albina Y., MacManus-Driscoll, Judith L. and Yang, Hao 2018. Oxygen-vacancy-mediated dielectric property in perovskite Eu0.5Ba0.5TiO3-δ epitaxial thin films. Applied Physics Letters 112 (18) , 182906. 10.1063/1.5025607
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Li, Xiaoman, Sun, Xiang, Zhang, Ling, Sun, Songmei and Wang, Wenzhong 2018. Efficient photocatalytic fixation of N2 by KOH-treated g-C3N4. Journal of Materials Chemistry A 6 (7) , pp. 3005-3011. 10.1039/c7ta09762j
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Liu, Ziwei, Mariani, Angelica, Wu, Longfei, Ritson, Dougal, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879 and Sutherland, John 2018. Tuning the reactivity of nitriles using Cu(ii) catalysis - potentially prebiotic activation of nucleotides. Chemical Science 9 (35) , pp. 7053-7057. 10.1039/C8SC02513D
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Liu, Xiaoteng, Xi, Jiabin, Xu, Ben Bin, Fang, Bo, Wang, Yucheng, Bayati, Maryam, Scott, Keith and Gao, Chao 2018. A high-performance direct methanol fuel cell technology enabled by mediating high-concentration methanol through a graphene aerogel. small methods 2 (10) , pp. 1-6. 10.1002/smtd.201800138

Liu, Yanan, McCue, Alan J., Feng, Junting, Guan, Shaoliang, Li, Dianqing and Anderson, James A. 2018. Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation. Journal of Catalysis 364 , pp. 204-215. 10.1016/j.jcat.2018.05.018
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Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Downing, Christopher A., Keal, Thomas W, Sherwood, Paul, Sokol, Alexey A. and Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 2018. Hybrid-DFT modelling of lattice and surface vacancies in MnO. Journal of Physical Chemistry C 123 (13) , pp. 8133-8144. 10.1021/acs.jpcc.8b07846
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Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Paz-Borbon, Lauro Oliver and Downing, Christopher A. 2018. DFT-Computed trends in the properties of bimetallic precious-metal nanoparticles with Core@shell segregation. Journal of Physical Chemistry C 122 (10) , pp. 5721-5730. 10.1021/acs.jpcc.7b10614
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Loizzi, Marianna, Gonzalez Gonzalez, Veronica, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 2018. Nucleophilic water capture or proton loss: single amino acid switch converts δ-Cadinene synthase into germacradien-4-ol synthase. Chembiochem 19 (1) , pp. 100-105. 10.1002/cbic.201700531
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Lu, You, Farrow, Matthew R., Fayon, Pierre, Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X, Sokol, Alexey A., Catlow, C Richard A ORCID: https://orcid.org/0000-0002-1341-1541, Sherwood, Paul and Keal, Thomas W 2018. Open-source, python-based redevelopment of the ChemShell multiscale QM/MM environment. Journal of Chemical Theory and Computation 15 (2) , pp. 1317-1328. 10.1021/acs.jctc.8b01036
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Ma, Lin, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Dowey, Patrick J., Yue, Sheng, Rutter, Ernest H., Taylor, Kevin G. and Lee, Peter D. 2018. Hierarchical integration of porosity in shales. Scientific Reports 8 (1) , 11683. 10.1038/s41598-018-30153-x
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Machado, Marta A., He, Songbo, Davies, Thomas, Seshan, K. and Teixeira da Silva, Victor 2018. Renewable fuel production from hydropyrolysis of residual biomass using molybdenum carbide-based catalysts: An analytical Py-GC/MS investigation. Catalysis Today 302 , pp. 161-168. 10.1016/j.cattod.2017.06.024
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Malta, Grazia, Kondrat, Simon A., Freakley, Simon J., Davies, Catherine, Dawson, Simon, Liu, Xi, Lu, Li, Dymkowski, Krzysztof, Fernandez-Alonso, F., Mukhopadhyay, Sanghamitra, Gibson, Emma Kate, Wells, Peter P., Parker, Stewart F., Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Deactivation of a single-site gold-on-carbon acetylene hydrochlorination catalyst: An X-ray absorption and inelastic neutron scattering study. ACS Catalysis 8 (9) , pp. 8493-8505. 10.1021/acscatal.8b02232
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Malta, Grazia 2018. In situ study of Au/C catalysts for the hydrochlorination of acetylene. PhD Thesis, Cardiff University.
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Mancardi, Giulia, Hernandez Tamargo, Carlos, Terranova, Umberto and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2018. Calcium phosphate deposition on planar and stepped (101) surfaces of anatase TiO2: Introducing an interatomic potential for the TiO2/Ca-PO4/Water interface. Langmuir 34 (34) , pp. 10144-10152. 10.1021/acs.langmuir.8b00984
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Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Thomas, Evan L. H., Gines, Laia ORCID: https://orcid.org/0000-0001-9980-054X, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Green, Joshua, Brousseau, Emmanuel B. ORCID: https://orcid.org/0000-0003-2728-3189 and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 2018. Redox agent enhanced chemical mechanical polishing of thin film diamond. Carbon 130 , pp. 25-30. 10.1016/j.carbon.2017.12.077
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Marquart, Wijnand, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Claeys, Michael and Fischer, Nico 2018. Oxygenate formation over K/β-Mo2C catalysts in the Fischer-Tropsch synthesis. Catalysis Science and Technology 8 (15) , pp. 3806-3817. 10.1039/C8CY01181H
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Matam, S. K., O'Malley, Alexander J., Catlow, Charles R. A. ORCID: https://orcid.org/0000-0002-1341-1541, Suwardiyanto, Suwardiyanto, Collier, P., Hawkins, A. P., Zachariou, A., Lennon, D., Silverwood, I., Parker, S. F. and Howe, R. F. 2018. The effects of MTG catalysis on methanol mobility in ZSM-5. Catalysis Science and Technology 8 (13) , pp. 3304-3312. 10.1039/C8CY00422F
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Matamoros-Veloza, Adriana, Cespedes, Oscar, Johnson, Benjamin R. G., Stawski, Tomasz M., Terranova, Umberto, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Benning, Liane G. 2018. A highly reactive precursor in the iron sulfide system. Nature Communications 9 (1) , 3125. 10.1038/s41467-018-05493-x
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Mauck, Catherine M., Bae, Youn Jue, Chen, Michelle, Powers-Riggs, Natalia, Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 and Wasielewski, Michael R. 2018. Charge-transfer character in a covalent diketopyrrolopyrrole dimer: implications for singlet fission. Chemphotochem 2 (3) , pp. 223-233. 10.1002/cptc.201700135
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Mazibuko, A F, Chauke, H R, Ngoepe, P E and Catlow, C R A ORCID: https://orcid.org/0000-0002-1341-1541 2018. Interatomic potential parameters for Li-Cl-Ti interaction. IOP Conference Series: Materials Science and Engineering 430 , 012016. 10.1088/1757-899X/430/1/012016
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McGuire, Jake, Miras, Haralampos N., Donahue, James P., Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Sproules, Stephen 2018. Ligand radicals as modular organic electron spin qubits. Chemistry - A European Journal 24 (66) , pp. 17598-17605. 10.1002/chem.201804165
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Mehdipour, Hamid, Akimov, Alexey V., Jankowska, Joanna, Rezakhanai, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Moshfegh, Alireza Z. and Prezhdo, Oleg V. 2018. Persistent quantum coherence and strong coupling enable fast electron transfer across the CdS/TiO2 interface: a time-domain ab initio simulation. Journal of Physical Chemistry C 122 (44) , pp. 25606-25616. 10.1021/acs.jpcc.8b06425
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Melchionna, Michele, Beltram, Alessandro, Stopin, Antoine, Montini, Tiziano, Lodge, Rhys W., Khlobystov, Andrei N., Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Prato, Maurizio and Fornasiero, Paolo 2018. Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrids. Applied Catalysis B: Environmental 227 , pp. 356-365. 10.1016/j.apcatb.2018.01.049
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Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2018. Metallfreie Stickstoffaktivierung: Ein neues Kapitel in der Chemie frustrierter Lewis-Paare. Angewandte Chemie 130 (4) , pp. 890-892. 10.1002/ange.201711945
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Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2018. A step closer to metal-free dinitrogen activation: a new chapter in the chemistry of frustrated Lewis pairs. Angewandte Chemie International Edition 57 (4) , pp. 880-882. 10.1002/anie.201711945
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Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 and Ould, Darren 2018. Arsenic catalysis: Hydroboration of aldehydes using a benzo-fused diaza-benzyloxy-arsole. Chemistry - A European Journal 10.1002/chem.201803508
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Meng, Fanhui, Li, Xin, Shaw, Greg, Smith, Paul, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647 and Li, Zhong 2018. Sacrificial carbon strategy toward enhancement of slurry methanation activity and stability over Ni-Zr/SiO2 catalyst. Industrial & Engineering Chemistry Research 57 (14) , pp. 4798-4806. 10.1021/acs.iecr.7b05157
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Midega, Charles A.O., Pittchar, Jimmy O., Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Hailu, Girma W. and Khan, Zeyaur R. 2018. A climate-adapted push-pull system effectively controls fall armyworm, Spodoptera frugiperda (J E Smith), in maize in East Africa. Crop Protection 105 , pp. 10-15. 10.1016/j.cropro.2017.11.003
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Mironova, Irina A., Postnikov, Pavel S., Yusubova, Rosa Y., Yoshimura, Akira, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Zhdankin, Viktor V., Nemykin, Victor N. and Yusubov, Mekhman S. 2018. Preparation and X-ray structure of 2-iodoxybenzenesulfonic acid (IBS) - a powerful hypervalent iodine(V) oxidant. Beilstein Journal of Organic Chemistry 14 , pp. 1854-1858. 10.3762/bjoc.14.159
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Mishra, Pawan K. ORCID: https://orcid.org/0000-0003-1141-3487, Verma, Shalini, Kumar, Manoj and Verma, A.K. 2018. Base-mediated direct transformation of N-propargylamines into 2,3,5-trisubstituted 1 H-pyrroles. Organic Letters 20 (22) , pp. 7182-7185. 10.1021/acs.orglett.8b03112

Mitra, Tamoghna, Moreau, Florian, Nevin, Adam, Perotto, Carlo, Summerfield, Alex, Davies, E Stephen, Gibson, Elizabeth, Easun, Timothy ORCID: https://orcid.org/0000-0002-0713-2642 and Schroder, Martin 2018. Characterisation of redox states of metal-organic frameworks by growth on modified thin-film electrodes. Chemical Science 9 (31) , pp. 6572-6579. 10.1039/C8SC00803E
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Mohan Verma, Anand, Kawale, Harshal D., Agrawal, Kushagra and Kishore, Nanda 2018. Quantum chemical study on gas phase pyrolysis of p-isopropenylphenol. Journal of Molecular Graphics and Modelling 81 , pp. 134-145. 10.1016/j.jmgm.2018.02.018

Monteleone, Marcello, Esposito, Elisa, Fuoco, Alessio, Lanc, Marek, Pilnácek, Krystof, Friess, Karel, Bezzu, Caterina, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, McKeown, Neil and Jansen, Johannes 2018. A novel time lag method for the analysis of mixed gas diffusion in polymeric membranes by on-line mass spectrometry: pressure dependence of transport parameters. Membranes 8 (3) , 73. 10.3390/membranes8030073
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Moragues, Alaina, Puértolas, Begoña, Mayoral, Álvaro, Arenal, Raúl, Hungría, Ana B., Murcia-Mascarós, Sonia, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Solsona, Benjamín, García, Tomás and Amorós, Pedro 2018. Understanding the role of Ti-rich domains in the stabilization of gold nanoparticles on mesoporous silica-based catalysts. Journal of Catalysis 360 , pp. 187-200. 10.1016/j.jcat.2018.02.003
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Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 2018. Core-level spectra of powdered tungsten disulfide, WS2. Surface Science Spectra 25 (1) , 014002. 10.1116/1.5030093
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Mósca, Andreia F., De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Wragg, Darren, Martins, Ana P., Sabir, Farzana, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Moura, Teresa F., Prista, Catarina, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Soveral, Graça 2018. Molecular basis of Aquaporin-7 permeability regulation by pH. Cells 7 (11) , 207. 10.3390/cells7110207
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Motta, Davide, Sanchez Trujillo, Felipe Juan, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Villa, Alberto and Prati, Laura 2018. An investigation on AuPt and AuPt-Bi on granular carbon as catalysts for the oxidation of glycerol under continuous flow conditions. Catalysis Today 308 , pp. 50-57. 10.1016/j.cattod.2017.10.012
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Mukherjee, Satobhisha, Patra, Tuhin and Glorius, Frank 2018. Cooperative catalysis: a strategy to synthesize trifluoromethyl-thioesters from aldehydes. ACS Catalysis 8 (7) , pp. 5842-5846. 10.1021/acscatal.8b01519

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 2018. Metal binding to amyloid β1-42: a ligand field molecular dynamics study. ACS Chemical Neuroscience 9 (11) , pp. 2795-2806. 10.1021/acschemneuro.8b00210
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Nardo, Viviana Mollica, Sinopoli, Alessandro, Kabalan, Lara, Ponterio, Rosina C., Saija, Franz and Trusso, Sebastiano 2018. SERS and DFT study of indigo adsorbed on silver nanostructured surface. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205 , pp. 465-469. 10.1016/j.saa.2018.07.059

Nash, Anthony, Collier, Thomas, Birch, Helen L. and De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2018. ForceGen: atomic covalent bond value derivation for Gromacs. Journal of Molecular Modeling 24 (1) , 5. 10.1007/s00894-017-3530-6
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Newland, Robert J., Delve, Matthew P., Wingad, Richard L. and Mansell, Stephen M. 2018. Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes. New Journal of Chemistry 42 (24) , pp. 19625-19636. 10.1039/C8NJ03632B
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Nodling, Alexander R., Swiderek, Katarzyna, Castillo, Raquel, Hall, Jonathan W., Angelastro, Antonio, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531, Jin, Yi, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088, Moliner, Vicent and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2018. Reactivity and selectivity of iminium organocatalysis improved by a protein host. Angewandte Chemie International Edition 57 (38) , pp. 12478-12482. 10.1002/anie.201806850
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Nolla-Saltiel, Roberto, Geer, Ana M., Lewis, William, Blake, Alexander J. and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 2018. Dehydrogenation of dimethylamine-borane mediated by group 1 pincer complexes. Chemical Communications 54 (15) , pp. 1825-1828. 10.1039/C7CC08385H

Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Althahban, Sultan M., Luo, Yuan, Kriegel, René, Shaw, Greg, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Watanabe, Masashi, Armbrüster, Marc, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Highly selective PdZn/ZnO catalysts for the methanol steam reforming reaction. Catalysis Science and Technology 8 (22) , pp. 5848-5857. 10.1039/C8CY01100A
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Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Hickey, Niamh W., Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Jenkins, Robert L., Knight, David W., Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Francisco, Manuel and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 2018. Mechanistic insights into selective oxidation of polyaromatic compounds using RICO chemistry. Chemistry - A European Journal 24 (47) , pp. 12359-12369. 10.1002/chem.201800423
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Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Reece, Christian, Althahban, Sultan M., Mohammed, Khaled M. H., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Elucidating the role of CO2 in the soft oxidative dehydrogenation of propane over ceria-based catalysts. ACS Catalysis 8 , pp. 3454-3468. 10.1021/acscatal.7b03805
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Nowicka, Ewa and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 2018. Designing Pd-based supported bimetallic catalysts for environmental applications. Journal of Zhejiang University-SCIENCE A 19 (1) , pp. 5-20. 10.1631/jzus.A1700257
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Nuzzo, Stefano, Twamley, Brendan, Platts, James A ORCID: https://orcid.org/0000-0002-1008-6595 and Baker, Robert J. 2018. Pseudohalide tectons within the coordination sphere of the uranyl ion: experimental and theoretical study of C-H···O, C-H···S, and chalcogenide noncovalent interactions. Inorganic Chemistry 57 (7) , pp. 3699-3712. 10.1021/acs.inorgchem.7b02967
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O'Malley, Alexander J., Sarwar, M., Armstrong, J., Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Silverwood, I. P., York, A. P. E. and Hitchcock, I. 2018. Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study. Physical Chemistry Chemical Physics 20 (17) , pp. 11976-11986. 10.1039/C8CP01022F
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Oliveira Filho, Jaires Gomes de, Ferreira, Lorena Lopes, Silva, Fernanda de Oliveira, Menezes, Karolina Martins Ferreira, Muniz, Elen Regozino, Paula, Luiza Gabriella Ferreira de, Sarria, André Lucio Franceschini, Pickett, John Anthony ORCID: https://orcid.org/0000-0002-1008-6595, Birkett, Michael Alexander, Mascarin, Gabriel Moura and Borges, Lígia Miranda Ferreira 2018. Persistence and efficacy of a new formulation based on dog allomonal repellents against Rhipicephalus sanguineus sensu lato tick. Revista Brasileira de Parasitologia Veterinaria 27 (3) , pp. 313-318. 10.1590/s1984-296120180054
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Ortmann, John Elliott, Nookala, Nishant, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Gao, Lingyuan, Lin, Chungwei, Posadas, Agham, Borisevich, Albina Y., Belkin, Mikhail A. and Demkov, Alexander A. 2018. Quantum confinement in oxide heterostructures: room-temperature intersubband absorption in SrTiO3/LaAlO3 multiple quantum wells. ACS Nano 12 (8) , pp. 7682-7689. 10.1021/acsnano.8b01293
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Padovan, Daniele, Botti, Luca and Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 2018. Active site hydration governs the stability of Sn-Beta during continuous glucose conversion. ACS Catalysis 10.1021/acscatal.8b01759
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Padovan, Daniele 2018. Continuous biomass valorisation with Sn-containing zeolite catalysts. PhD Thesis, Cardiff University.
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Pandharkar, Subhash M., Rondiya, Sachin R., Rokade, Avinash V., Gabhale, Bharat B., Pathan, Habib M. and Jadkar, Sandesh R. 2018. Synthesis and characterization of molybdenum back contact using direct current-magnetron sputtering for thin film solar cells. Frontiers in Materials 5 (13) 10.3389/fmats.2018.00013
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Papadakis, Ioannis, Bouza, Zoi, Stathis, Aristeidis, Orfanos, Ioannis, Couris, Stelios, Miletic, Tanja and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2018. Experimental study of the structural effect on the nanosecond nonlinear optical response of O-doped polycyclic aromatic hydrocarbons (PAHs). Journal of Physical Chemistry A 122 (23) , pp. 5142-5152. 10.1021/acs.jpca.8b02737
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Parmentier, Tanja, Dawson, Simon, Malta, Grazia, Lu, Li, Davies, Thomas E., Kondrat, Simon A., Freakley, Simon, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 2018. Homocoupling of phenylboronic acid using atomically dispersed gold on carbon catalysts: catalyst evolution before reaction. ChemCatChem 10 (8) , pp. 1853-1859. 10.1002/cctc.201701840
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Paściak, M., Welberry, T. R., Kulda, J., Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 and Hlinka, J. 2018. Dynamic displacement disorder of cubic BaTiO3. Physical Review Letters 120 (16) , -. 10.1103/PhysRevLett.120.167601
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Patouossa, Issofa, Arvanitidis, Athanasios G., Tshishimbi Muya, Jules, Nguyen, Minh Tho and Ceulemans, Arnout 2018. Valence bonds in planar and quasi-planar boron disks. Physical Chemistry Chemical Physics 21 (2) , pp. 729-735. 10.1039/C8CP06749J

Patzsch, Julia, Spencer, Jacob N., Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Bloh, Jonathan Z. 2018. Grafted iron(iii) ions significantly enhance NO2 oxidation rate and selectivity of TiO2 for photocatalytic NOx abatement. RSC Advances 8 (49) , pp. 27674-27685. 10.1039/C8RA05017A
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Paulo, Bruno, Sigrist, Renata, Angolini, Célio, Eberlin, Marcos and Gonzaga de Oliveira, Luciana 2018. Gene deletion leads to improved valinomycin production by Streptomyces sp. CBMAI 2042. Journal of the Brazilian Chemical Society 30 (3) , pp. 673-679. 10.21577/0103-5053.20180207
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Paulo, Bruno, Sigrist, Renata and Gonzaga De Oliveira, Luciana 2018. Avanços recentes em biossíntese combinatória de policetídeos: perspectivas e desafios Recent advances in combinatorial biosynthesis of polyketides: perspectives and challenges. Química Nova 42 (1) , pp. 71-83. 10.21577/0100-4042.20170307
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Payard, Pierre?Adrien, Gu, Qingyi, Guo, Wenping, Wang, Qianran, Corbet, Matthieu, Michel, Carine, Sautet, Philippe, Grimaud, Laurence, Wischert, Raphael and Pera-Titus, Marc 2018. Direct amination of alcohols catalyzed by aluminum triflate: an experimental and computational study. Chemistry - A European Journal 24 (53) , pp. 13146-13153. 10.1002/chem.201801492

Pegg, James Thomas, Shields, Ashley, Storr, Mark, Wills, Andrew S., Scanlon, David O and De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2018. Hidden magnetic order in plutonium dioxide nuclear fuel. Physical Chemistry Chemical Physics 20 (32) , pp. 20943-20951. 10.1039/C8CP03583K
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Pelayo, J. Jesús, Valencia, Israel, García, A. Patricio, Chang, Le, López, Marta, Toffoli, Daniele, Stener, Mauro, Fortunelli, Alessandro and Garzón, Ignacio L. 2018. Chirality in bare and ligand-protected metal nanoclusters. Advances in Physics: X 3 (1) , 1509727. 10.1080/23746149.2018.1509727
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Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Mogodi, Mashikoane W., Kumi, David O., Jewell, Linda L., Billing, David G. and Coville, Neil J. 2018. A sinter resistant Co Fischer-Tropsch catalyst promoted with Ru and supported on titania encapsulated by mesoporous silica. Applied Catalysis A: General 552 , pp. 129-137. 10.1016/j.apcata.2017.12.015
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Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 and Weston, Leslie A. 2018. Possibilities for rationally exploiting co-evolution in addressing resistance to insecticides, and beyond. Pesticide Biochemistry and Physiology 151 , pp. 18-24. 10.1016/j.pestbp.2018.03.007
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Pietrzak, Barbara, Sharma, Vandana, Wasalathanthri, Dhanuka, Ellwanger, Joel Henrique, Sanganyado, Edmond, Buschke, Falko, Beardsley, Felicia Rounds, Agarwal, Divyansh, Jensen, Mark Martin, Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642, Lin, Han, Zhou, Kaile, Jordan, E. Joseph, Oda, Fernanda Suemi, MacKay, Harry, Coffey, Erin, Yoho, Rachel and Winter, Marten 2018. Nurturing connections to the environment. Science 362 (6417) , p. 886. 10.1126/science.aav9402
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Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Baker, Robert J. 2018. Non-covalent interactions of uranyl complexes: a theoretical study. Physical Chemistry Chemical Physics 20 (22) , pp. 15380-15388. 10.1039/C8CP02444H
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Polidano, Kurt, Allen, Benjamin D. W., Williams, Jonathan M. J. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 2018. Iron-catalyzed methylation using the borrowing hydrogen approach. ACS Catalysis 8 , pp. 6440-6445. 10.1021/acscatal.8b02158
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Pollard, Dominic J., Berger, Cedric N. ORCID: https://orcid.org/0000-0002-1316-5985, So, Ernest C., Yu, Lu, Hadavizadeh, Kate, Jennings, Patricia, Tate, Edward W., Choudhary, Jyoti S. and Frankel, Gad 2018. Broad-spectrum regulation of nonreceptor tyrosine kinases by the bacterial ADP-ribosyltransferase EspJ. mBio 9 (2) , e00170-18. 10.1128/mBio.00170-18
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Postica, Vasile, Vahl, Alexander, Strobel, Julian, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Lupan, Oleg, Cadi-Essadek, Abdelaziz, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, Schütt, Fabian, Polonskyi, Oleksandr, Strunskus, Thomas, Baum, Martina, Kienle, Lorenz, Adelung, Rainer and Faupel, Franz 2018. Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory. Journal of Materials Chemistry A 6 (46) , pp. 23669-23682. 10.1039/C8TA08985J
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Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799, Kim, Hong Won and Park, Jin Kyoon 2018. Regiodivergent synthesis of 1,3- and 1,4-enynes through kinetically favored hydropalladation and ligand-enforced carbopalladation. Angewandte Chemie International Edition 57 (31) , pp. 9930-9935. 10.1002/anie.201805408

Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799, Kim, Hong Won and Park, Jin Kyoon 2018. Harnessing the polarizability of conjugated alkynes toward [2 + 2] cycloaddition, alkenylation, and ring expansion of indoles. Organic Letters 20 (17) , 5286–5290. 10.1021/acs.orglett.8b02230

Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799 and Mohapatra, Debendra K. 2018. A synthetic study toward the core structure of (-)-apicularen A. Organic and Biomolecular Chemistry 16 (45) , pp. 8810-8818. 10.1039/C8OB02301H

Pramanik, Milan, Choudhuri, Khokan and Mal, Prasenjit 2018. N-Iodosuccinimide as bifunctional reagent in (E)-selective C(sp2)−H sulfonylation of styrenes. Asian Journal of Organic Chemistry 8 (1) , pp. 144-150. 10.1002/ajoc.201800644

Qu, Ruiyang, Macino, Margherita, Iqbal, Sarwat, Gao, Xiang, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203 2018. Supported bimetallic AuPd nanoparticles as a catalyst for the selective hydrogenation of nitroarenes. Nanomaterials 8 (9) , 690. 10.3390/nano8090690
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Raza Naqvi, Sayed Tayyab, Shirinfar, Bahareh, Majeed, Saadat, Najam-ul-Haq, Muhammad, Hussain, Dilshad, Iqbal, Tanyia and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 2018. Synthesis, design and sensing applications of nanostructured ceria-based materials. Analyst 143 (23) , pp. 5610-5628. 10.1039/C8AN01268G
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Schotten, Christiane, Howard, Joseph L., Jenkins, Robert L., Codina, Anna and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2018. A continuous flow-batch hybrid reactor for commodity chemical synthesis enabled by inline NMR and temperature monitoring. Tetrahedron 74 (38) , pp. 5503-5509. 10.1016/j.tet.2018.05.070
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Underhill, Ricci, Lewis, Richard J., Freakley, Simon J., Douthwaite, Mark, Miedziak, Peter J., Akdim, Ouardia, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Oxidative degradation of phenol using in situ generated hydrogen peroxide combined with Fenton's process. Johnson Matthey Technology Review 62 (4) , pp. 417-425. 10.1595/205651318X15302623075041
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Vakili, Reza, Xu, Shaojun, Al-Janabi, Nadeen, Gorgojo, Patricia, Holmes, Stuart M. and Fan, Xiaolei 2018. Microwave-assisted synthesis of zirconium-based metal organic frameworks (MOFs): Optimization and gas adsorption. Microporous and Mesoporous Materials 260 , pp. 45-53. 10.1016/j.micromeso.2017.10.028

Vakili, Reza, Gibson, Emma K., Chansai, Sarayute, Xu, Shaojun, Al-Janabi, Nadeen, Wells, Peter P., Hardacre, Christopher, Walton, Alex and Fan, Xiaolei 2018. Understanding the CO oxidation on Pt nanoparticles supported on MOFs by Operando XPS. ChemCatChem 10 (19) , pp. 4238-4242. 10.1002/cctc.201801067
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Verhoog, Stefan, Kee, Choon Wee, Wang, Yanlan, Khotavivattana, Tanatorn, Wilson, Thomas C., Kersemans, Veerle, Smart, Sean, Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611, Davis, Benjamin G. and Gouverneur, Veronique 2018. 18F-trifluoromethylation of unmodified peptides with 5-18F-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate. Journal of the American Chemical Society 140 (5) , pp. 1572-1575. 10.1021/jacs.7b10227

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Verma, Anand Mohan, Agrawal, Kushagra, Kawale, Harshal D. and Kishore, Nanda 2018. Quantum chemical study on gas phase decomposition of ferulic acid. Molecular Physics 116 (14) , pp. 1895-1907. 10.1080/00268976.2018.1464223

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Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Elucidation of novel mechanisms to produce value-added chemicals from vapour phase conversion of ferulic acid. Theoretical Chemistry Accounts: Theory, Computation, and Modeling 137 (9) , 122. 10.1007/s00214-018-2311-3

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Villa, Alberto, Jouve, Andrea, Sanchez Trujillo, Felipe Juan, Motta, Davide, Prati, Laura and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 2018. Exploring the effect of Au/Pt ratio on glycerol oxidation in presence and absence of a base. Catalysts 8 (2) , 54. 10.3390/catal8020054
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Wang, Chao, Feng, Shanghua, Liu, Lei, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 and Dong, Jinxiang 2018. A facile route to encapsulate ultrasmall Ni clusters within the pore channels of AlPO-5. Materials Letters 210 , pp. 211-213. 10.1016/j.matlet.2017.09.037
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Wang, Tao, Yan, Zhen, Michel, Carine, Pera-Titus, Marc and Sautet, Philippe 2018. Trends and control in the nitridation of transition-metal surfaces. ACS Catalysis 8 (1) , pp. 63-68. 10.1021/acscatal.7b02096

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Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625, Bobbitt, N. Scott, Logsdon, Jenna L., Powers-Riggs, Natalia E., Nelson, Jordan N., Liu, Xiaolong, Wang, Timothy C., Snurr, Randall Q., Hupp, Joseph T., Farha, Omar K., Hersam, Mark C. and Wasielewski, Michael R. 2018. Tunable crystallinity and charge transfer in two-dimensional G-quadruplex organic frameworks. Angewandte Chemie International Edition 57 (15) , pp. 3985-3989.