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Number of items: 255.

A

Abagale, Samson A., Braimah, Haruna, Osafo-Acquaah, Samuel, Powers, Stephen J., Emden, Helmut, Birkett, Michael A., Pickett, John A., Sanda, Umar I. and Vuts, József 2021. Field validation of senesced banana leaf extracts for trapping banana weevils on smallholder banana/plantain farms. Journal of Applied Entomology 145 (1-2) , pp. 26-35. 10.1111/jen.12838
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Abdulridha, Samer, Jiao, Yilai, Xu, Shaojun, Zhang, Rongxin, Ren, Zhongyuan, Garforth, Arthur A. and Fan, Xiaolei 2021. A comparative study on mesoporous Y zeolites prepared by hard-templating and post-synthetic treatment methods. Applied Catalysis A: General 612 , 117986. 10.1016/j.apcata.2020.117986
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Abdulridha, Samer, Zhang, Rongxin, Xu, Shaojun, Tedstone, Aleksander, Ou, Xiaoxia, Gong, Jiacheng, Mao, Boyang, Frogley, Mark, Bawn, Carlo, Zhou, Zhaoxia, Zhang, Xinran, Chansai, Sarayute, Holmes, Stuart M., Hardacre, Christopher, Garforth, Arthur A., Yang, Sihai, Jiao, Yilai and Fan, Xiaolei 2021. An efficient microwave-assisted chelation (MWAC) post-synthetic modification method to produce hierarchical Y zeolites. Microporous and Mesoporous Materials 311 , 110715. 10.1016/j.micromeso.2020.110715
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Adesina, Aduragbemi S., Luk, Louis Y. P. and Allemann, Rudolf K. 2021. Cryo‐kinetics reveal dynamic effects on the chemistry of human dihydrofolate reductase. ChemBioChem 22 (14) , pp. 2410-2414. 10.1002/cbic.202100017
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Agarwal, Nishtha, Thomas, Liam, Nasrallah, Ali, Sainna, Mala A., Freakley, Simon J., Edwards, Jennifer K., Catlow, C. Richard A., Hutchings, Graham J., Taylor, Stuart H. and Willock, David J. 2021. The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. Catalysis Today 381 , pp. 76-85. 10.1016/j.cattod.2020.09.001
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Agrawal, Kushagra, Roldan, Alberto, Kishore, Nanda and Logsdail, Andrew J. 2021. Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide. Catalysis Today 10.1016/j.cattod.2021.04.011
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Al Rahal, Okba, Williams, P. Andrew, Hughes, Colan E., Kariuki, Benson M. and Harris, Kenneth D. M. 2021. Structure determination of multicomponent crystalline phases of (S)-Ibuprofen and l-Proline from powder x-ray diffraction data, augmented by complementary experimental and computational techniques. Crystal Growth and Design 21 (4) , pp. 2498-2507. 10.1021/acs.cgd.1c00160
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Aladeemy, Saba A., Al-Mayouf, Abdullah M., Amer, Mabrook S., Alotaibi, Nouf H., Weller, Mark T. and Ghanem, Mohamed A. 2021. Structure and electrochemical activity of nickel aluminium fluoride nanosheets during urea electro-oxidation in an alkaline solution. RSC Advances 11 (5) , pp. 3190-3201. 10.1039/D0RA10814F
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Alharbi, Haifa, Elsherbini, Mohamed, Qurban, Jihan and Wirth, Thomas 2021. C−N axial chiral hypervalent iodine reagents: catalytic stereoselective α‐oxytosylation of ketones. Chemistry - A European Journal 27 (13) , pp. 4317-4321. 10.1002/chem.202005253
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Alshammari, Nadiyah, Savva, Loizos, Kennedy-Britten, Oliver and Platts, James A. 2021. Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β. Computational Biology and Chemistry 93 , 107540. 10.1016/j.compbiolchem.2021.107540
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Amri, Nasser and Wirth, Thomas 2021. Flow electrosynthesis of sulfoxides, sulfones, and sulfoximines without supporting electrolytes. Journal of Organic Chemistry 10.1021/acs.joc.1c00860
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Amri, Nasser and Wirth, Thomas 2021. Recent advances in the electrochemical synthesis of organosulfur compounds. Chemical Record 21 (9) , pp. 2526-2537. 10.1002/tcr.202100064
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Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Kariuki, Benson, Kidwell, Luke and Easun, Timothy 2021. Efficient electrochemical synthesis of a manganese-based metal-organic framework for H2 and CO2 uptake. Green Chemistry 23 , pp. 1220-1227. 10.1039/D0GC03292A
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Ashritha, M.G., Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y., Dhole, S.D., Hareesh, K. and Sunitha, D.V. 2021. Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity. Applied Surface Science 545 , 148962. 10.1016/j.apsusc.2021.148962
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Ayan, Dasgupta, Richards, Emma and Melen, Rebecca 2021. Frustrated radical pairs: insights from EPR spectroscopy. Angewandte Chemie International Edition 60 (1) , pp. 53-65. 10.1002/anie.202010633
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B

Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. and El-Hiti, Gamal A. 2021. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 431-433. 10.1515/ncrs-2020-0607
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Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M. and El-Hiti, Gamal A. 2021. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 425-427. 10.1515/ncrs-2020-0605
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Baragau, Ioan-Alexandru, Lu, Zhen, Power, Nicholas P., Morgan, David J., 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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Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J., Lobo, Richard A., Roberts, Christopher S., Titirici, Maria-Magdalena, Middelkoop, Vesna, Diaz, Adriana, Dunn, Steven and Kellici, Suela 2021. Efficient continuous hydrothermal flow synthesis of carbon quantum dots from a targeted biomass precursor for on-off metal ions nanosensing. ACS Sustainable Chemistry and Engineering 9 (6) , 2559–2569. 10.1021/acssuschemeng.0c08594
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Barlocco, Ilaria, Bellomi, Silvio, Delgado, Juan J., Chen, Xiaowei, Prati, Laura, Dimitratos, Nikolaos, Roldan, Alberto and Villa, Alberto 2021. Enhancing activity, selectivity and stability of palladium catalysts in formic acid decomposition: Effect of support functionalization. Catalysis Today 10.1016/j.cattod.2021.07.005
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Barlocco, Ilaria, Capelli, Sofia, Zanella, Elisa, Chen, Xiaowei, Delgado, Juan J., Roldan, Alberto, Dimitratos, Nikolaos and Villa, Alberto 2021. Synthesis of palladium-rhodium bimetallic nanoparticles for formic acid dehydrogenation. Journal of Energy Chemistry 52 , pp. 301-309. 10.1016/j.jechem.2020.04.031
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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. and Jadkar, Sandesh R. 2021. 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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Bartley, Jonathan K., Dimitratos, Nikolaos, Edwards, Jennifer K., Kiely, Christopher J. and Taylor, Stuart H. 2021. A career in catalysis: Graham J. Hutchings. ACS Catalysis 11 (10) , pp. 5916-5933. 10.1021/acscatal.1c00569
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Basak, Shyam, Winfrey, Laura, Kustiana, Betty A., Melen, Rebecca L., Morrill, Louis C. and Pulis, Alexander P. 2021. Electron deficient borane-mediated hydride abstraction in amines: stoichiometric and catalytic processes. Chemical Society Reviews 50 (6) , pp. 3721-3737. 10.1039/D0CS00531B
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Beevers, Cameron 2021. Advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level. PhD Thesis, Cardiff University.
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Bezzu, C. Grazia, Fuoco, Alessio, Esposito, Elisa, Monteleone, Marcello, Longo, Mariagiulia, Jansen, Johannes Carolus, Nichol, Gary S. and McKeown, Neil B. 2021. Ultrapermeable polymers of intrinsic microporosity (PIMs) containing spirocyclic units with fused triptycenes. Advanced Functional Materials 31 (37) , 2104474. 10.1002/adfm.202104474
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Bhaduri, Debajyoti, Ghara, Tina, Penchev, Pavel, Paul, Soumitra, Pruncu, Catalin I., Dimov, Stefan and Morgan, David 2021. Pulsed laser polishing of selective laser melted aluminium alloy parts. Applied Surface Science 558 , 149887. 10.1016/j.apsusc.2021.149887
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Bhattacharjee, Annapurna, Srivastava, Prabhakar Lal, Nath, Onkar and Jain, Mukesh 2021. Genome-wide discovery of OsHOX24-binding sites and regulation of desiccation stress response in rice. Plant Molecular Biology 105 (1-2) , pp. 205-214. 10.1007/s11103-020-01078-9

Bhorde, Ajinkya, Waykar, Ravindra, Rondiya, Sachin R., Nair, Shruthi, Lonkar, Ganesh, Funde, Adinath, Dzade, Nelson Y. and Jadkar, Sandesh 2021. Structural, electronic, and optical properties of lead-free halide double perovskite Rb2AgBiI6: a combined experimental and DFT study. ES Materials & Manufacturing 12 , pp. 43-52. 10.30919/esmm5f1042
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Bowden, Bethany, Davies-Jones, Josh A., Davies, Matthew, Davies, Philip R., Morgan, David J., Sainna, Mala A. and Willock, David J. 2021. Investigating the effects of surface adsorbates on gold and palladium deposition on carbon. Topics in Catalysis 10.1007/s11244-021-01423-2
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Branfoot, Callum, Young, Tom A., Wass, Duncan F. and Pringle, Paul G. 2021. Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies. Dalton Transactions 50 (20) , pp. 7094-7104. 10.1039/D1DT01013A
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Brehm, Joseph, Lewis, Richard J., Morgan, David J., Davies, Thomas E. and Hutchings, Graham J. 2021. The direct synthesis of hydrogen peroxide over AuPd nanoparticles: an investigation into metal loading. Catalysis Letters 10.1007/s10562-021-03632-6
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Briggs, Lydia, Newby, Ruth, Han, Xue, Morris, Christopher G., Savage, Mathew, Krap, Cristina Perez, Easun, Timothy L., Frogley, Mark D., Cinque, Gianfelice, Murray, Claire A., Tang, Chiu C., Sun, Junliang, Yang, Sihai and Schröder, Martin 2021. Binding and separation of CO2, SO2 and C2H2 in homo- and hetero-metallic metal-organic framework materials. Journal of Materials Chemistry A 9 (11) , pp. 7190-7197. 10.1039/D1TA00687H
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C

Campisi, Dario, Lamberts, Thanja, Dzade, Nelson Y., Martinazzo, Rocco, ten Kate, Inge Loes and Tielens, Alexander G. G. M. 2021. Interaction of aromatic molecules with forsterite: accuracy of the periodic DFT-D4 method. Journal of Physical Chemistry A 125 (13) , pp. 2770-2781. 10.1021/acs.jpca.1c02326
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Carden, Jamie 2021. Enabling technologies to access new materials using frustrated Lewis pairs. PhD Thesis, Cardiff University.
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Casini, Angela and Thomas, Sophie R. 2021. The beauty of gold: knowledge of mechanisms leads to different applications of organogold compounds in medicine and catalysis. Chemistry Letters 50 (8) , pp. 1516-1522. 10.1246/cl.210238
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Catlow, C. Richard A. 2021. Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects. Faraday Discussions 229 , pp. 502-513. 10.1039/D1FD00027F
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Catlow, C. Richard A. 2021. Operando structural science of functional materials. IUCrJ 8 (5) , pp. 703-704. 10.1107/S2052252521008393
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Cerrato, E. and Paganini, M. C. 2021. Photoactive systems based on semiconducting metal oxides. In: Lopez, Elisa Garcia and Palmisano, Leonardo eds. Materials Science in Photocatalysis, Elsevier,

Cerrato, Erik, Rebolini, Elettra, Fabbri, Debora, Calza, Paola and Paganini, Maria Cristina 2021. Ternary systems based on ZnO/CeO2/Cu2O for the degradation of phenol and carbamazepine. Journal of Alloys and Compounds 856 , 158167. 10.1016/j.jallcom.2020.158167

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit and Kaowphong, Sulawan 2021. Double Z-scheme FeVO4/Bi4O5Br2/BiOBr ternary heterojunction photocatalyst for simultaneous photocatalytic removal of hexavalent chromium and rhodamine B. Journal of Colloid and Interface Science 603 , pp. 738-757. 10.1016/j.jcis.2021.06.124
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Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Pattisson, Samuel, Hutchings, Graham J. and Kaowphong, Sulawan 2021. Enhanced photocatalytic degradation of organic pollutants and hydrogen production by a visible light-responsive Bi2WO6/ZnIn2S4 heterojunction. Applied Surface Science 544 , 148885. 10.1016/j.apsusc.2020.148885
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Chaffey, Dawn R., Bere, Takudzwa, Davies, Thomas E., Apperley, David C., Taylor, Stuart H. and Graham, Andrew E. 2021. Conversion of levulinic acid to levulinate ester biofuels by heterogeneous catalysts in the presence of acetals and ketals. Applied Catalysis B: Environmental 293 , 120219. 10.1016/j.apcatb.2021.120219
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Chauhan, Ratna, Shinde, Manish, Sethi, Yogesh, Waghadkar, Yogesh, Rondiya, Sachin R., Dzade, Nelson Y., Gosavi, Suresh and Muddassir, Mohd. 2021. Indium-doped ZnOas efficient photosensitive material for sunlight driven hydrogen generation and DSSC applications: integrated experimental and computational approach. Journal of Solid State Electrochemistry 25 (8-9) , pp. 2279-2292. 10.1007/s10008-021-04999-7
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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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Cherevotan, Arjun, Raj, Jithu, Dheer, Lakshay, Roy, Soumyabrata, Sarkar, Shreya, Das, Risov, Vinod, Chathakudath P., Xu, Shaojun, Wells, Peter, Waghmare, Umesh V. and Peter, Sebastian C. 2021. Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol. ACS Energy Letters 6 (2) , 509–516. 10.1021/acsenergylett.0c02614

Cherkasov, Nikolay, Murzin, Dmitry Yu., Catlow, C. Richard A. and Chutia, Arunabhiram 2021. Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study. Catalysis Science & Technology 11 (18) , pp. 6205-6216. 10.1039/D1CY01016F
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Chikate, Parameshwar R., Sharma, Alfa, Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y., Shirage, Parasharam M. and Devan, Rupesh S. 2021. Hierarchically interconnected ZnO nanowires for low-temperature-operated reducing gas sensors: experimental and DFT studies. New Journal of Chemistry 45 (3) , pp. 1404-1414. 10.1039/D0NJ05231K
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Craco, L., Carara, S. S. and Leoni, S. 2021. Interplay of electric field and disorder in Dirac liquid silicene. The European Physical Journal B 94 (2) , 47. 10.1140/epjb/s10051-021-00055-5
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Craco, L., Carara, S. S. and Leoni, S. 2021. Landau-Fermi liquidness and s-wave superconducting properties of pressurized gray phosphorus. The European Physical Journal B 94 (5) , 115. 10.1140/epjb/s10051-021-00121-y
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Craco, L. and Leoni, S. 2021. Orbital-selective nature of the 3d electronic structure of the ThFeAsN superconductor. Physical Review B 103 (7) , 075110. 10.1103/PhysRevB.103.075110
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Craven, Holly M., Bonsignore, Riccardo, Lenis, Vasilis, Santi, Nicolo, Berrar, Daniel, Swain, Martin, Whiteland, Helen, Casini, Angela and Hoffmann, Karl F. 2021. Identifying and validating the presence of Guanine-Quadruplexes (G4) within the blood fluke parasite Schistosoma mansoni. PLoS Neglected Tropical Diseases 15 (2) , e0008770. 10.1371/journal.pntd.0008770
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Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J., Davies, Thomas E., Edwards, Jennifer. K., Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. 2021. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters 151 , pp. 164-171. 10.1007/s10562-020-03281-1
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Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J., Slater, Thomas J. A., Davies, Thomas E., Edwards, Jennifer. K., Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. 2021. The selective oxidation of cyclohexane via In-situ H2O2 production over supported Pd-based catalysts. Catalysis Letters 151 , pp. 2762-2774. 10.1007/s10562-020-03511-6
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Crombie, Caitlin M., Lewis, Richard J., Taylor, Rebekah L., Morgan, David J., Davies, Thomas E., Folli, Andrea, Murphy, Damien M., Edwards, Jennifer K., Qi, Jizhen, Jiang, Haoyu, Kiely, Christopher J., Liu, Xi, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. 2021. Enhanced selective oxidation of benzyl alcohol via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 11 , 2701–2714. 10.1021/acscatal.0c04586
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Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y. 2021. First-principles DFT Insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: implications for direct hydrazine fuel cells. Applied Surface Science 536 , 147648. 10.1016/j.apsusc.2020.147648
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Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y. 2021. Theoretical Insights into the hydrogen evolution reaction on the Ni3N electrocatalyst. Catalysts 11 (6) , 716. 10.3390/catal11060716
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D

Dasgupta, Ayan, Stefkova, Katarina, Babaahmadi, Rasool, Yates, Brian F., Buurma, Niklaas J., Ariafard, Alireza, Richards, Emma and Melen, Rebecca L. 2021. Site-selective Csp3–Csp/Csp3–Csp2 cross-coupling reactions using frustrated Lewis pairs. Journal of the American Chemical Society 143 (11) , pp. 4451-4464. 10.1021/jacs.1c01622
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Dasgupta, Ayan, Thiehoff, Christian, Newman, Paul D., Wirth, Thomas and Melen, Rebecca L. 2021. Reactions promoted by hypervalent iodine reagents and boron Lewis acids. Organic and Biomolecular Chemistry 19 (22) , pp. 4852-4865. 10.1039/D1OB00740H
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Dawson, Simon R., Pattisson, Samuel, Malta, Grazia, Dummer, Nicholas F., Smith, Louise R., Lazaridou, Anna, Allen, Christopher S., Davies, Thomas E., Freakley, Simon J., Kondrat, Simon A, Kiely, Christopher J., Johnston, Peter and Hutchings, Graham J. 2021. Sulfur promotion in Au/C catalyzed acetylene hydrochlorination. Small 17 (16) , 2007221. 10.1002/smll.202007221
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de Bitencourt Rodrigues, Higor, Oliveira de Brito Lira, Jéssica, Padoin, Natan, Soares, Cíntia, Qurashi, Ahsanulhaq and Ahmed, Nisar 2021. Sonoelectrochemistry: ultrasound-assisted organic electrosynthesis. ACS Sustainable Chemistry and Engineering 9 (29) , pp. 9590-9603. 10.1021/acssuschemeng.1c02989
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Decarolis, Donato, Clark, Adam H., Pellegrinelli, Tommaso, Nachtegaal, Maarten, Lynch, Evan W., Catlow, C. Richard A., Gibson, Emma K., Goguet, Alexandre and Wells, Peter P. 2021. Spatial profiling of a Pd/Al2O3 catalyst during selective ammonia oxidation. ACS Catalysis 11 , 2141–2149. 10.1021/acscatal.0c05356
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Deng, Ke, Cole, Jacqueline M., Cooper, Joshaniel F. K., Webster, John R. P., Haynes, Richard, Al Bahri, Othman K., Steinke, Nina-Juliane, Guan, Shaoliang, Stan, Liliana, Zhan, Xiaozhi, Zhu, Tao, Nye, Daniel W. and Stenning, Gavin B. G. 2021. Electrolyte/dye/TiO2 interfacial structures of dye-sensitized solar cells revealed by in situ neutron reflectometry with contrast matching. Langmuir 37 (5) , pp. 1970-1982. 10.1021/acs.langmuir.0c03508
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Di Ilio, Vincenzo, Birkett, Michael A. and Pickett, John A. 2021. Effects of nicotine and tobacco-related products on the feeding behavior of the German cockroach (Blattodea: Blattellidae). Journal of Insect Science 21 (2) , 3. 10.1093/jisesa/ieaa147
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Diniz Lessa, Milena, Fajardo, José Renato D, Delarmelina, Maicon and Carneiro, José Walkimar de M 2021. A DFT study on the mechanism for polymerization of δ-valerolactone initiated by N-heterocyclic carbene (NHC) catalysts. Molecular Catalysis 515 , 111896. 10.1016/j.mcat.2021.111896
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Doan, Huan V., Nguyen, Hoa Thi, Ting, Valeska P., Guan, Shaoliang, Eloi, Jean-Charles, Hall, Simon R. and Pham, Xuan Nui 2021. Improved photodegradation of anionic dyes using a complex graphitic carbon nitride and iron-based metal-organic framework material. Faraday Discussions 10.1039/D1FD00010A
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Du, Wenjia, Hao, Zhangxiang, Iacoviello, Francesco, Sheng, Lin, Guan, Shaoliang, Zhang, Zhenyu, Brett, Daniel J. L., Wang, Feng Ryan and Shearing, Paul R. 2021. A multiscale X-ray tomography study of the cycled-induced degradation in magnesium-sulfur batteries. Small Methods 5 (5) , 2001193. 10.1002/smtd.202001193
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Dzade, Nelson Y. 2021. First-principles insights into the electronic structure, optical and band alignment properties of earth-abundant Cu2SrSnS4 solar absorber. Scientific Reports 11 (1) , 4755. 10.1038/s41598-021-84037-8
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Dzade, Nelson Y. and de Leeuw, Nora H. 2021. Activating the FeS (001) surface for CO2 adsorption and reduction through the formation of sulfur vacancies: a DFT-D3 study. Catalysts 11 (1) , 127. 10.3390/catal11010127
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E

Edwards, Lee 2021. Innovative coatings for electrical steel. PhD Thesis, Cardiff University.
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Elsherbini, Mohamed, Osi, Arnaud, Alharbi, Haifa, Karam, Fatemah and Wirth, Thomas 2021. Sulfur-based chiral iodoarenes: an underexplored class of chiral hypervalent iodine reagents. Synthesis: Journal of Synthetic Organic Chemistry 53 , A-H. 10.1055/a-1508-9593
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Hardwick, Tomas and Ahmed, Nisar 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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Thomas, Sophie R. and Casini, Angela 2021. N-Heterocyclic carbenes as “smart” gold nanoparticle stabilizers: state-of-the art and perspectives for biomedical applications. Journal of Organometallic Chemistry 938 , 121743. 10.1016/j.jorganchem.2021.121743
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Trenholme, William J. F., Kolokolov, Daniil I., Bound, Michelle, Argent, Stephen P., Gould, Jamie A., Li, Jiangnan, Barnett, Sarah A., Blake, Alexander J., Stepanov, Alexander G., Besley, Elena, Easun, Timothy L., Yang, Sihai and Schröder, Martin 2021. Selective gas uptake and rotational dynamics in a (3,24)-connected metal-organic framework material. Journal of the American Chemical Society 143 (9) , pp. 3348-3358. 10.1021/jacs.0c11202
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Tsuru, Shota, Vidal, Marta L., Pápai, Mátyás, Krylov, Anna I., Møller, Klaus B. and Coriani, Sonia 2021. An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural Dynamics 8 (2) , 024101. 10.1063/4.0000070
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Ubler, Martin 2021. Towards light induced apoptosis - investigating the application of a red-shifted photoswitch to induce cell death. PhD Thesis, Cardiff University.
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Underhill, Ricci, Douthwaite, Mark, Lewis, Richard J., Miedziak, Peter J., Armstrong, Robert D., Morgan, David J., Freakley, Simon J., Davies, Thomas, Folli, Andrea, Murphy, Damien M., He, Qian, Akdim, Ouardia, Edwards, Jennifer K. and Hutchings, Graham J. 2021. Ambient base-free glycerol oxidation over bimetallic PdFe/SiO2 by in situ generated active oxygen species. Research on Chemical Intermediates 47 , pp. 303-324. 10.1007/s11164-020-04333-2
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Ungerer, Marietjie J., van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. 2021. Behavior of S, SO, and SO3 on Pt (001), (011), and (111) surfaces: a DFT study. The Journal of Chemical Physics 154 (19) , 194701. 10.1063/5.0043501
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Viéitez Calo, Sara, Morgan, David J., Golunski, Stan, Taylor, Stuart H. and Twigg, Martyn V. 2021. Structure sensitivity and hydration effects in Pt/TiO2 and Pt/TiO2?SiO2 catalysts for NO and propane oxidation. Topics in Catalysis 10.1007/s11244-021-01415-2
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Villa, Alberto, Barlocco, Ilaria, Capelli, Sofia, Lu, Xiuyuan, Bellomi, Silvio, Huang, Xiaohui, Wang, Di, Prati, Laura, Dimitratos, Nikolaos and Roldan, Alberto 2021. Disclosing the role of gold on palladium - gold alloyed supported catalysts in formic acid decomposition. ChemCatChem 10.1002/cctc.202100886
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Wallace, William T., Hayward, James S., Ho, Chen-Yu, Marsh, Amy R., Tariq, Anisa and Bartley, Jonathan K. 2021. Triethylamine-water as a switchable solvent for the synthesis of Cu/ZnO catalysts for carbon dioxide hydrogenation to methanol. Topics in Catalysis 10.1007/s11244-021-01457-6
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Wang, Yu, Knowles, P. J. and Wang, Jian 2021. Information entropy as a measure of the correlation energy associated with the cumulant. Physical Review A 103 (6) , 062808. 10.1103/PhysRevA.103.062808
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Wang, Yu, Wang, Feng, Sheng, Xiaowei, Yu, Yafei, Knowles, P. J. and Wang, Jian 2021. Collins conjecture and information entropy in dissociating diatomic molecules. Physical Review A 103 (4) , 042816. 10.1103/PhysRevA.103.042816
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Wang, Zhe, Feng, Jiangjiang, Li, Xiaoliang, Oh, Rena, Shi, Dongdong, Akdim, Ouardia, Xia, Ming, Zhao, Liang, Huang, Xiaoyang and Zhang, Guojie 2021. Au-Pd nanoparticles immobilized on TiO2 nanosheet as an active and durable catalyst for solvent-free selective oxidation of benzyl alcohol. Journal of Colloid and Interface Science 588 , pp. 787-794. 10.1016/j.jcis.2020.11.112
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Watson, Nathan 2021. An analysis of the sources and sinks for Criegee intermediates: An extended computational study. PhD Thesis, Cardiff University.
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Wilbers, Derik, Brehm, Joseph, Lewis, Richard, Van Marwijk, Jacqueline, Davies, Thomas, Morgan, David John, Opperman, Diederik J., Smit, Martha Sophia, Alcalde, Miguel, Kotsiopoulos, Athanasios, Harrison, Susan T. L., Hutchings, Graham and Freakley, Simon 2021. Controlling product selectivity with nanoparticle composition in tandem chemo-biocatalytic styrene oxidation. Green Chemistry 23 (11) , pp. 4170-4180. 10.1039/D0GC04320F
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Williams, Thomas L. 2021. The use of covalent modification and genetic code expansion to create organocatalytic artificial enzymes. PhD Thesis, Cardiff University.
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Williams, Thomas L., Iskandar, Debra J., Nödling, Alexander R., Tan, Yurong, Luk, Louis Y. P. and Tsai, Yu-Hsuan 2021. Transferability of N-terminal mutations of pyrrolysyl-tRNA synthetase in one species to that in another species on unnatural amino acid incorporation efficiency. Amino Acids 53 , pp. 89-96. 10.1007/s00726-020-02927-z
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Winterson, Bethan, Rennigholtz, Tim and Wirth, Thomas 2021. Flow electrochemistry: a safe tool for fluorine chemistry. Chemical Science 12 (26) , pp. 9053-9059. 10.1039/D1SC02123K
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Winterson, Bethan and Wirth, Thomas 2021. Electrochemistry in flow for drug discovery. Topics in Medicinal Chemistry, Springer, (10.1007/7355_2021_115)

Wirth, Thomas 2021. Iodine(III) mediators in electrochemical batch and flow reactions. Current Opinion in Electrochemistry 28 , 100701. 10.1016/j.coelec.2021.100701
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Wirth, Thomas and Zhang, Huaiyuan 2021. Recent advances in asymmetric functionalization of olefins induced by chiral hypervalent iodine reagents. Chinese Journal of Organic Chemistry 41 (1) , pp. 65-70. 10.6023/cjoc202006013

Woof, Callum R., Durand, Derek J., Fey, Natalie, Richards, Emma and Webster, Ruth L. 2021. Iron catalyzed double bond isomerization: evidence for an Fe I /Fe III catalytic cycle. Chemistry - A European Journal 27 (19) , pp. 5972-5977. 10.1002/chem.202004980
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Wright, Anna I., Kariuki, Benson M. and Wu, Yi-Lin 2021. Triplet-forming thionated donor-acceptor chromophores for electrochemically amphoteric photosensitization. European Journal of Organic Chemistry 2021 (33) , pp. 4647-4652. 10.1002/ejoc.202100793
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Wu, Qiqi, Ye, Jiani, Qiao, Wei, Li, Yongwang, Niemantsverdriet, J.W. (Hans), Richards, Emma, Pan, Feng and Su, Ren 2021. Inhibit the formation of toxic methylphenolic by-products in photo-decomposition of formaldehyde-toluene/xylene mixtures by Pd cocatalyst on TiO2. Applied Catalysis B: Environmental 291 , 120118. 10.1016/j.apcatb.2021.120118
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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 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. 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, Gao, Mingyu, Li, Dianqing, Feng, Junting and Hutchings, Graham 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. 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., 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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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 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., 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. 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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Zhang, Zhenfei, Liu, Yong, Portaluri, Vincent, Woodcock, Christine, Pickett, John A., 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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Zhou, Jiawang, Stojanovic, Ljiljana, Berezin, Andrey A., Battisti, Tommaso, Gill, Abigail, Kariuki, Benson, Bonifazi, Davide, Crespo-Otero, Rachel, Wasielewski, Michael R. and Wu, Yi-Lin 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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This list was generated on Sat Oct 16 08:30:33 2021 BST.