Browse by Schools (by year)

, Kiely, Christopher J.

2017. Aqueous Au-Pd colloids catalyze selective CH4 oxidation to CH3OH with O2 under mild conditions. Science 358 (6360) , pp. 223-227. 10.1126/science.aan6515

Ahmed, Tarek, Nash, Anthony, Clark, Kristina, Ghibaudo, Marion, De Leeuw, Nora

, Potter, Anne, Stratton, Richard, Birch, Helen, Enea Casse, Ramona and Bozec, Laurent 2017. Combining nano-physical and computational investigations to understand the nature of “aging” in dermal collagen. International Journal of Nanomedicine 2017 (12) , pp. 3303-3314. 10.2147/IJN.S121400

Al-Azzawi, Ammar 2017. The interactions of optoelectronically active molecules and complexes with (bio) macromolecules for applications in biosensors and directed assembly. PhD Thesis, Cardiff University.

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Al-Nayili, Abbas 2017. Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry. PhD Thesis, Cardiff University.

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Al-Rifai, Noor, Miedziak, Peter John, Morad, Moataz, Meenakshisundaram, Sankar

, Waldron, Conor, Cattaneo, Stefano, Cao, Enhong, Pattisson, Samuel, Morgan, David

, Bethell, Donald, Hutchings, Graham John

and Gavriilidis, Asterios 2017. Deactivation behaviour of supported gold palladium nanoalloy catalysts during the selective oxidation of benzyl alcohol in a micro-packed bed reactor. Industrial & Engineering Chemistry Research 56 (45) , pp. 12984-12993. 10.1021/acs.iecr.7b01159

Alaboosh, Jamal 2017. Synthesis of nucleic acid-binding ligands. PhD Thesis, Cardiff University.

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Albilali, Reem K., Douthwaite, John Mark, He, Qian

and Taylor, Stuart H.

2017. The selective hydrogenation of furfural over supported palladium nanoparticle catalysts prepared by sol-immobilisation: effect of catalyst support and reaction conditions. Catalysis Science and Technology 2018 (8) , pp. 252-267. 10.1039/C7CY02110K

Albilali, Reem and Dimitratos, Nikolaos

2017. Transfer dehydrogenation of 1-Phenylethanol over Pd/C under mild conditions: effect of reaction conditions and optimization of catalytic performance. Catalysis Letters 147 (9) , pp. 2372-2384. 10.1007/s10562-017-2140-3

Aldmairi, Abdu H., Griffiths-Jones, Charlotte, Dupauw, Alexis, Henderson, Laura and Knight, David 2017. Piperidines from acid-catalysed cyclisations: Pitfalls, solutions and a new ring contraction to pyrrolidines. Tetrahedron Letters 58 (38) , pp. 3690-3694. 10.1016/j.tetlet.2017.07.058

Aldmairi, Abdul Hadi, Knight, David and Wirth, Thomas

2017. Acid-catalyzed tandem process for the one-pot synthesis of oxazolidines. Synlett 28 (20) , pp. 2976-2978. 10.1055/s-0036-1591513

Alsaiari, Raiedhah, Perrott, Luke T., Nowicka, Ewa

, Engel, Rebecca V., Miedziak, Peter J., Kondrat, Simon A., Edwards, Jennifer K.

, Willock, David James

and Hutchings, Graham John

2017. The effect of ring size on the selective carboxylation of cycloalkene oxides. Catalysis Science & Technology 2017 (6) , pp. 1433-1439. 10.1039/C6CY02448C

Alsaiari, Raiedhah 2017. Effects of reaction conditions on the conversion of epoxides to cyclic carbonates through CO2 inclusion. PhD Thesis, Cardiff University.

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Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson

and El-Hiti, Gamal A.

2017. Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 101-104. 10.1515/ncrs-2016-0170

Amoroso, Angelo James

, Fallis, Ian Andrew

and Pope, Simon J. A.

2017. Chelating agents for radiolanthanides: applications to imaging and therapy. Coordination Chemistry Reviews 340 , pp. 198-219. 10.1016/j.ccr.2017.01.010

Angelastro, Antonio

, Dawson, William M., Luk, Louis Y. P.

and Allemann, Rudolf K.

2017. A versatile disulfide-driven recycling system for NADP+ with high cofactor turnover number. ACS Catalysis 7 (2) , pp. 1025-1029. 10.1021/acscatal.6b03061

Angelastro, Antonio

, Dawson, William M., Luk, Louis Y. P.

, Loveridge, E. Joel and Allemann, Rudolf K.

2017. Chemoenzymatic assembly of isotopically labeled folates. Journal of the American Chemical Society 139 (37) , pp. 13047-13054. 10.1021/jacs.7b06358

Angelastro, Antonio

2017. Chemoenzymatic synthesis of isotopically labelled folates. PhD Thesis, Cardiff University.

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Antonangelo, A. R., Westrup, K. C. M., Burt, L. A., Bezzu, C. Grazia, Malewschik, T., Machado, G. S., Nunes, F. S., McKeown, N. B. and Nakagaki, S. 2017. Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins. RSC Advances 7 (80) , pp. 50610-50618. 10.1039/C7RA08734A

Antonangelo, Ariana R., Bezzu, Grazia, Mughal, Sabeeha S., Malewschik, Talita, McKeown, Neil B. and Nakagaki, Shirley 2017. A porphyrin-based microporous network polymer that acts as an efficient catalyst for cyclooctene and cyclohexane oxidation under mild conditions. Catalysis Communications 99 , p. 100. 10.1016/j.catcom.2017.05.024

Aparicio-Anglès, Xavier and De Leeuw, Nora H.

2017. Modeling of complex interfaces: Gadolinium-doped ceria in contact with yttria-stabilized zirconia. Journal of the American Ceramic Society 100 (7) , pp. 3329-3339. 10.1111/jace.14858

Aradottir, G.I., Martin, J.L., Clark, S.J., Pickett, John

and Smart, L.E. 2017. Searching for wheat resistance to aphids and wheat bulb fly in the historical Watkins and Gediflux wheat collections. Annals of Applied Biology 170 (2) , pp. 179-188. 10.1111/aab.12326

Armstrong, Robert, Kariuki, Benson

, Knight, David and Hutchings, Graham John

2017. How to synthesise high purity, crystalline D-glucaric acid selectively. European Journal of Organic Chemistry 2017 (45) , pp. 6811-6814. 10.1002/ejoc.201701343

Arora, Mallika, Pineda, Sergio, Williams, Philip, Harris, Kenneth

and Kariuki, Benson

2017. Polymorphic adaptation. Presented at: 17th International Conference, CAAD Futures 2017, Istanbul, 12-14 July 2017. Published in: Çağdaş, Gülen, Özkar, Mine, Gül, Leman F. and Gürer, Ethem eds. Future Trajectories of Computation in Design. Istanbul: Istanbul Technical University, pp. 474-491.

Arvanitidis, Athanasios G., Vandaele, Eva R. J., Szopa, Marek and Ceulemans, Arnout 2017. The quantization of theE ⊗ e Jahn–Teller Hamiltonian. Journal of Physical Chemistry A 121 (38) , pp. 7246-7524. 10.1021/acs.jpca.7b06136

Athar, Mohd, Lone, Mohsin Y., Khedkar, Vijay M., Radadiya, Ashish

, Shah, Anamik and Jha, Prakash C. 2017. Structural investigation of Vinca Domain Tubulin Binders by pharmacophore, atom based QSAR, docking and molecular dynamics simulations. Combinatorial Chemistry and High Throughput Screening 20 (8) , pp. 682-695. 10.2174/1386207320666170509151253

Attard, Gary Anthony, Hunter, Katherine, Wright, Edward, Sharman, Jonathan, Martínez-Hincapié, Ricardo and Feliu, Juan M. 2017. The voltammetry of surfaces vicinal to Pt{110}: structural complexity simplified by CO cooling. Journal of Electroanalytical Chemistry 793 , pp. 137-146. 10.1016/j.jelechem.2016.10.005

Ayres, James, Ashford, Matthew, Stockl, Yannick, Prudhomme, Vassili, Ling, Kenneth B., Platts, James

and Morrill, Louis

2017. Deoxycyanamidation of alcohols with N-Cyano-N-phenyl-p-methylbenzenesulfonamide (NCTS). Organic Letters 19 (14) , pp. 3835-3838. 10.1021/acs.orglett.7b01710

Bahili, Mohammed 2017. Synthesis of polyesters by ring opening polymerization and copolymerization using aluminium and titanium complexes. PhD Thesis, Cardiff University.

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Bahruji, Hasliza, Guan, Shaoliang and Puthiyapura, Vinod Kumar 2017. Precious metal catalysts for sustainable energy and environmental remediation. Hutchings, Graham, Davidson, Matthew, Catlow, Ricahrd, Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 211-251. (10.1142/9781786341228_0007)

Bahruji, H., Bowker, M.

, Jones, W., Hayward, J., Ruiz Esquius, J., Morgan, D. J.

and Hutchings, G. J.

2017. PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI). Faraday Discussions 197 , pp. 309-324. 10.1039/C6FD00189K

Balakit, A. A., Sert, Y., Çırak, Ç., Smith, Keith, Kariuki, Benson

and El-Hiti, G. A. 2017. Synthesis, vibrational spectra, and DFT simulations of 3-bromo-2-methyl-5-(4-nitrophenyl)thiophene. Journal of Applied Spectroscopy 84 (5) , pp. 888-899. 10.1007/s10812-017-0561-9

Belz, Tyson, Jin, Yi

, Coines, Joan, Rovira, Carme, Davies, Gideon J. and Williams, Spencer J. 2017. An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor. Chemical Communications 53 , pp. 9238-9241. 10.1039/C7CC04977C

Bhatt, Jayesh S., Chutia, Arunabhiram, Catlow, Charles Richard A.

and Coppens, Marc-Olivier 2017. Quantum and statistical mechanical simulations for porous catalyst modelling. Hutchings, Graham John, Davidson, Matthew, Catlow, Charles Richard A., Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 253-288. (10.1142/9781786341228_0008)

Biggs, Caroline I., Packer, Christopher, Hindmarsh, Steven, Walker, Marc, Wilson, Neil R., Rourke, Jonathan P.

and Gibson, Matthew I. 2017. Impact of sequential surface-modification of graphene oxide on ice nucleation. Physical Chemistry Chemical Physics 19 (33) , pp. 21929-21932. 10.1039/C7CP03219F

Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William and Kays, Deborah L.

2017. A monomeric, heterobimetallic complex with an unsupported Mg–Fe bond. Inorganica Chimica Acta 458 , pp. 97-100. 10.1016/j.ica.2016.12.029

Biswas, Saptarshi, Ma, Shuwen, Nuzzo, Stefano, Twamley, Brendan, Russell, Andrew T., Platts, James A.

, Hartl, František and Baker, Robert J. 2017. Structural variability of 4f and 5f thiocyanate complexes and dissociation of uranium(III)‒ thiocyanate bonds with increased ionicity. Inorganic Chemistry 56 (23) , pp. 14426-14437. 10.1021/acs.inorgchem.7b01560

Black, Joshua 2017. Development and applications of Quasi-Variational Coupled-Cluster theory. PhD Thesis, Cardiff University.

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Blackaby, William J. M., Sabater, Sara, Poulten, Rebecca C., Page, Michael J., Folli, Andrea

, Krewald, Vera, Mahon, Mary F., Murphy, Damien M.

, Richards, Emma

and Whittlesey, Michael K. 2017. Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br]. Dalton Transactions 47 (3) , pp. 769-782. 10.1039/C7DT04187J

Blackburn, George Michael, Jin, Yi

, Richards, Nigel G.J.

and Waltho, Jonathan P 2017. Metal fluorides as analogs for studies on phosphoryl transfer enzymes. Angewandte Chemie 129 (15) , pp. 4172-4192. 10.1002/ange.201606474

Blackburn, G. Michael, Cherfils, Jacqueline, Moss, Gerard P., Richards, Nigel G. J.

, Waltho, Jonathan P., Williams, Nicholas H. and Wittinghofer, Alfred 2017. How to name atoms in phosphates, polyphosphates, their derivatives and mimics, and transition state analogues for enzyme-catalysed phosphoryl transfer reactions (IUPAC Recommendations 2016). Pure and Applied Chemistry 89 (5) , pp. 653-675. 10.1515/pac-2016-0202

Boateng, Isaac Wiafe, Tia, Richard, Adei, Evans, Dzade, Nelson Yaw, Catlow, Charles Richard

2017. A DFT+U investigation of hydrogen adsorption on the LaFeO3 (010) surface. Physical Chemistry Chemical Physics 2017 (10) , pp. 7399-7409. 10.1039/C6CP08698E

Boggio-Pasqua, Martial, López Vidal, Marta and Garavelli, Marco 2017. Theoretical mechanistic study of self-sensitized photo-oxygenation and singlet oxygen thermal release in a dimethyldihydropyrene derivative. Journal of Photochemistry and Photobiology A: Chemistry 333 , pp. 156-164. 10.1016/j.jphotochem.2016.10.020

Bonello, R. Owen, Pitak, Mateusz B., Coles, Simon J., Hallett, Andrew J., Fallis, Ian Andrew

and Pope, Simon J. A.

2017. Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands. Journal of Organometallic Chemistry 841 , pp. 39-47. 10.1016/j.jorganchem.2017.04.021

Bonifazi, Davide

2017. Versatile self-adapting boronic acids for H-bond recognition: from discrete to polymeric supramolecules. Journal of the American Chemical Society 139 (7) , pp. 2710-2727. 10.1021/jacs.6b11362

Boorsma, Carian E., van der Veen, T. Anienke, Putri, Kurnia S. S., De Almeida, Andreia

, Draijer, Christina, Mauad, Thais, Fejer, Gyorgy, Brandsma, Corry-Anke, van den Berge, Maarten, Bossé, Yohan, Sin, Don, Hao, Ke, Reithmeier, Anja, Andersson, Göran, Olinga, Peter, Timens, Wim, Casini, Angela

and Melgert, Barbro N. 2017. A potent tartrate resistant acid phosphatase inhibitor to study the function of TRAP in alveolar macrophages. Scientific Reports 7 (1) , 12570. 10.1038/s41598-017-12623-w

Bosch-Navarro, Concha, Laker, Zachary P.L., Marsden, Alexander J., Wilson, Neil R. and Rourke, Jonathan P.

2017. Non-covalent functionalization of graphene with a hydrophilic self-limiting monolayer for macro-molecule immobilization. FlatChem 1 , pp. 52-56. 10.1016/j.flatc.2016.11.001

Bosica, Giovanna and Polidano, Kurt 2017. Solvent-free Henry and Michael reactions with nitroalkanes promoted by potassium carbonate as a versatile heterogeneous catalyst. Journal of Chemistry 2017 , 6267036. 10.1155/2017/6267036

Bouleghlimat, Emir 2017. Materials for the photocatalytic treatment of recalcitrant organic waste. PhD Thesis, Cardiff University.

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Bouleghlimat, Azzedine, Othman, Mazin, Lagrave, Louis, Matsuzawa, Soichiro, Nakamura, Yoshinobu, Fujii, Syuji and Buurma, Niklaas

2017. Halide-enhanced catalytic activity of palladium nanoparticles comes at the expense of catalyst recovery. Catalysts 7 (9) , 280. 10.3390/catal7090280

Bradley, Mark A., Birchall, Chris, Blake, Alexander J., Lewis, William, Moxey, Graeme J. and Kays, Deborah L.

2017. 1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions. Dalton Transactions 46 (12) , pp. 4101-4110. 10.1039/C7DT00471K

Brown, Kristen E., Singh, Arunoday P. N., Wu, Yi-Lin

, Mishra, Ashutosh Kumar, Zhou, Jiawang, Lewis, Frederick D., Young, Ryan M. and Wasielewski, Michael R. 2017. Tracking hole transport in DNA hairpins using a phenylethynylguanine nucleobase. Journal of the American Chemical Society 139 (34) , pp. 12084-12092. 10.1021/jacs.7b06998

Brown, Kristen E., Singh, Arunoday P. N., Wu, Yi-Lin

, Ma, Lin, Mishra, Ashutosh K., Phelan, Brian T., Young, Ryan M., Lewis, Frederick D. and Wasielewski, Michael R. 2017. Fluorescent excimers and exciplexes of the purine base derivative 8-phenylethynyl-guanine in DNA hairpins. Faraday Discussions 207 , pp. 217-232. 10.1039/C7FD00186J

Browne, Duncan L

, Howard, Joseph L and Schotten, Christiane 2017. Continuous flow processing as a tool for medicinal chemical synthesis. Comprehensive Medicinal Chemistry III, Elsevier, pp. 135-185. (10.1016/B978-0-12-409547-2.12288-7)

Bryant, M. J., Skelton, J. M., Hatcher, L. E.

, Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M. and Raithby, P. R. 2017. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications 8 , 1800. 10.1038/s41467-017-01941-2

Bugler, Keith 2017. The catalytic oxidative dehydrogenation of n-octane over iron and other metal molybdates. PhD Thesis, Cardiff University.

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Burnett, T. L., Holroyd, N. J. H., Lewandowski, J. J., Ogurreck, M., Rau, C., Kelley, R., Pickering, E. J., Daly, M., Sherry, A. H., Pawar, S., Slater, T. J. A.

and Withers, P. J. 2017. Degradation of metallic materials studied by correlative tomography. IOP Conference Series: Materials Science and Engineering 219 (1) , 012001. 10.1088/1757-899X/219/1/012001

Buurma, Niklaas J.

2017. Aggregation and reactivity in aqueous solutions of cationic surfactants and aromatic anions across concentration scales. Current Opinion in Colloid & Interface Science 32 , pp. 69-75. 10.1016/j.cocis.2017.10.005

Buurma, Niklaas J.

2017. π-conjugated DNA binders. Stulz, Eugen and Clever, Guido H., eds. Supramolecular Chemistry and Nanotechnology, Wiley, ch1.2. (10.1002/9781118696880.ch1.2)

Cadi-Essadek, A., Roldan Martinez, Alberto

2017. Density functional theory study of Ni clusters supported on the ZrO2 (111) surface. Fuel Cells 17 (2) , pp. 125-131. 10.1002/fuce.201600044

Cao, Yueling, Iqbal, Sarwat, Miedziak, Peter John, Jones, Daniel R., Morgan, David John

, Liu, Xi, Wang, Junwei and Hutchings, Graham

2017. An investigation into bimetallic catalysts for base free oxidation of cellobiose and glucose. Journal of Chemical Technology and Biotechnology 92 (9) , pp. 2246-2253. 10.1002/jctb.5287

Cao, Tao, Wu, Mengjia, Ordomsky, Vitaly V., Xin, Xi, Wang, Hao, Métivier, Pascal and Pera-Titus, Marc 2017. Selective electrogenerative oxidation of 5-hydroxymethylfurfural to 2,5-furandialdehyde. ChemSusChem 10 (24) , pp. 4851-4854. 10.1002/cssc.201702119

Cao, Enhong, Brett, Gemma Louise, Miedziak, Peter John, Douthwaite, John, Barrass, Simon, McMillan, Paul F., Hutchings, Graham John

and Gavriilidis, Asterios 2017. A micropacked-bed multi-reactor system with in situ raman analysis for catalyst evaluation. Catalysis Today 283 , pp. 195-201. 10.1016/j.cattod.2016.06.007

Cao, Ting, Zhang, Fangting, Cai, Liangyuan, Zhou, Yinglin, Buurma, Niklaas J.

and Zhang, Xinxiang 2017. Investigation of the interactions between methylene blue and intramolecular G-quadruplexes: an explicit distinction in electrochemical behavior. Analyst 2017 (142) , pp. 987-993. 10.1039/C7AN00083A

Carpenter, Barry K.

, Ezra, Gregory S., Farantos, Stavros C., Kramer, Zeb C. and Wiggins, Stephen 2017. Empirical classification of trajectory data: An opportunity for the use of machine learning in molecular dynamics. Journal of Physical Chemistry B 122 (13) , p. 3230. 10.1021/acs.jpcb.7b08707

Carta, Mariolina

, Bezzu, C. Grazia, Vile, James, Kariuki, Benson M.

and McKeown, Neil B 2017. Polymers of Intrinsic Microporosity derived from a carbocyclic analogue of Tröger's base. Polymer 126 , pp. 324-329. 10.1016/j.polymer.2017.03.037

Carter, Korey P., Pope, Simon J. A.

, Kalaj, Mark, Holmberg, Rebecca J., Murugesu, Muralee and Cahill, Christopher L. 2017. Exploring the promotion of synthons of choice: halogen bonding in molecular lanthanide complexes characterized via X-ray diffraction, luminescence spectroscopy, and magnetic measurements. Zeitschrift für ganische und allgemeine Chemie 643 (23) , pp. 1948-1955. 10.1002/zaac.201700341

Casini, Angela

, Estrada-Ortiz, Natalia, Gabbiani, Chiara, Guarra, Federica, Groothuis, Geny, de Graaf, Inge, de Jager, Marina and Marchetti, Lorella 2017. Anticancer gold N-heterocyclic carbene complexes: a comparative in vitro and ex vivo study. ChemMedchem 12 (17) , pp. 1429-1435. 10.1002/cmdc.201700316

University of Groningen 2017. Gold(III) compounds as tartrate resistant acid phosphatase inhibitors, and therapeutic uses thereof. WO2017058012 (A1). [Patent].

Casini, Angela

, Miller, Jessica J., Gomes, Luiza M.F. and Storr, Tim 2017. The interaction of metal compounds with protein targets: new tools in medicinal chemistry and chemical biology. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438)

Casini, Angela

, Orvig, Chris and Correia, João D. G. 2017. Frontiers in radionuclide imaging and therapy, a chemical journey from naturally radioactive elements to targeted theranostic agents. Dalton Transactions 46 , pp. 14433-14434. 10.1039/C7DT90181J

Casini, Angela

, Woods, Benjamin and Wenzel, Margot

2017. The promise of self-assembled 3D supramolecular coordination complexes for biomedical applications. Inorganic Chemistry 56 (24) , pp. 14715-14729. 10.1021/acs.inorgchem.7b02599

Caswell, Thomas 2017. Photocatalytic nitrate reduction under solar-simulated light using modified TiO2. PhD Thesis, Cardiff University.

Item availability restricted.

Catlow, C. Richard A.

, van Santen, Rutger A. and Van Speybroeck, Veronique 2017. Preface. Catlow, C. Richard A., Van Speybroeck, Veronique and Van Santen, Rutger A., eds. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials, Elsevier, xiii. (10.1016/B978-0-12-805057-6.00013-2)

Catlow, C. Richard

2017. Modelling and simulation in the science of micro- and meso-porous materials. Elsevier.

Catlow, C. Richard

2017. Peer reviewers need more nurturing. Nature 552 (7685) , p. 293. 10.1038/d41586-017-08289-z

Catlow, Charles Richard

2017. Developments in the structural science of materials. IUCrJ 4 (3) , pp. 199-201. 10.1107/S2052252517006145

Celorrio, V., Morris, Louis J., Cattelan, M., Fox, N.A. and Fermin, D.J. 2017. Tellurium-doped lanthanum manganite as catalysts for the oxygen reduction reaction. MRS Communications 7 (2) , pp. 193-198. 10.1557/mrc.2017.22

Cerrato, Erik, Gionco, Chiara, Paganini, Maria Cristina and Giamello, Elio 2017. Photoactivity properties of ZnO doped with cerium ions: an EPR study. Journal of Physics: Condensed Matter 29 (44) , 444001. 10.1088/1361-648X/aa88f7

Chan-Thaw, Carine, Chinchilla, Lidia, Sanchez Trujillo, Felipe Juan, Dimitratos, Nikolaos

, Botton, Gianluigi, Prati, Laura and Villa, Alberto 2017. Enhanced activity of Au/NiO nanohybrids for the reductive amination of benzyl alcohol. Materials 10 (12) , 1435. 10.3390/ma10121435

Charalampopoulos, Vasileios G., Kariuki, Benson

and Harris, Kenneth David Maclean

2017. Complexes of Thiourea with alkali metal bromides and iodides: Structural properties, mixed-halide and mixed-metal materials, and halide exchange processes. Crystal Growth and Design 17 (2) , pp. 786-793. 10.1021/acs.cgd.6b01644

Chhantyal-Pun, Rabi, McGillen, Max R., Beames, Joseph

, Khan, M. Anwar H., Percival, Carl J., Shallcross, Dudley E. and Orr-Ewing, Andrew J. 2017. Temperature-dependence of the rates of reaction of trifluoroacetic acid with criegee intermediates. Angewandte Chemie - International Edition 56 (31) , pp. 9044-9047. 10.1002/anie.201703700

Christie, Jamieson K., Ainsworth, Richard I, Ruiz Hernandez, Sergio Ernesto

and De Leeuw, Nora Henriette

2017. Structures and properties of phosphate-based bioactive glasses from computer simulation: a review. Journal of Materials Chemistry B 5 (27) , pp. 5297-5306. 10.1039/C7TB01236E

Christie, J. K. and De Leeuw, Nora

2017. Effect of strontium inclusion on the bioactivity of phosphate-based glasses. Journal of Materials Science 52 (15) , pp. 9014-9022. 10.1007/s10853-017-1155-x

Chutia, Arunabhiram, Gibson, Emma K., Farrow, Matthew R., Wells, Peter P., Scanlon, David O., Dimitratos, Nikolaos

, Willock, David

and Catlow, Charles Richard A.

2017. The adsorption of Cu on the CeO2(110) surface. Physical Chemistry Chemical Physics 19 (40) , pp. 27191-27203. 10.1039/C7CP04144F

Clark, Nicholas

, Shaw, Greg and Porch, Adrian

2017. Effect of surface stresses on microwave surface resistance and its impact for cavity perturbation measurements. IEEE Microwave and Wireless Components Letters 27 (10) , pp. 939-941. 10.1109/LMWC.2017.2745486

Coles, Nathan T.

, Mahon, Mary F. and Webster, Ruth L. 2017. Phosphine- and amine-borane dehydrocoupling using a three-coordinate iron(II) β-diketiminate precatalyst. Organometallics 36 (11) , 2262–2268. 10.1021/acs.organomet.7b00326

Coles, Nathan T.

and Webster, Ruth L. 2017. Iron catalyzed dehydrocoupling of amine- and phosphine-boranes. Israel Journal of Chemistry 57 (12) , pp. 1070-1081. 10.1002/ijch.201700018

Constantinides, Christos P., Carter, Emma

, Eisler, Dana, Beldjoudi, Yassine, Murphy, Damien Martin

and Rawson, Jeremy M. 2017. Effects of Halo-substitution on 2'-Chloro-5'-halo-phenyl-1,2,3,5-dithiadiazolyl Radicals: A Crystallographic, Magnetic and EPR Case Study. Crystal Growth and Design 17 (6) , pp. 3017-3029. 10.1021/acs.cgd.6b01700

Cooper, Bridgette, Girdlestone, Stephen, Burovskiy, Pavel, Gaydadjiev, Georgi, Averbukh, Vitali, Knowles, Peter J.

and Luk, Wayne 2017. Quantum chemistry in dataflow: Density-fitting MP2. Journal of Chemical Theory and Computation 13 (11) , pp. 5265-5272. 10.1021/acs.jctc.7b00649

Cortese, Remedios, Schimmenti, Roberto, Ferrante, Francesco, Prestianni, Antonio, Decarolis, Donato and Duca, Dario 2017. Graph-based analysis of ethylene glycol decomposition on a palladium cluster. Journal of Physical Chemistry C 121 (25) , pp. 13606-13616. 10.1021/acs.jpcc.7b00850

Craco, L., Faria, J. L. B. and Leoni, Stefano

2017. Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory. Materials Research Express 4 (3) , 036303. 10.1088/2053-1591/aa6296

Craco, L., Pereira, T. A. da Silva and Leoni, Stefano

2017. Electronic structure and thermoelectric transport of black phosphorus. Physical Review B 96 (7) , 075118. 10.1103/PhysRevB.96.075118

Craco, Luis, Laad, Mukul S. and Leoni, Stefano

2017. Microscopic description of insulator-metal transition in high-pressure oxygen. Scientific Reports 7 , 2632. 10.1038/s41598-017-02730-z

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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Baashen, Mohammed, Hegazy, Amany S. and Kariuki, Benson M.

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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Baashen, Mohammed, Hegazy, Amany S. and Kariuki, Benson M.

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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Hegazy, Amany S. and Kariuki, Benson M.

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Harris, Kenneth D.M.

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Harris, Kenneth David Maclean

2017. Explorations in the dynamics of crystalline solids and the evolution of crystal formation processes. Israel Journal of Chemistry 57 , pp. 154-170. 10.1002/ijch.201600088

Hartnett, Patrick E., Mauck, Catherine M., Harris, Michelle A., Young, Ryan M., Wu, Yi-Lin

, Marks, Tobin J. and Wasielewski, Michael R. 2017. Influence of anion delocalization on electron transfer in a covalent porphyrin donor-perylenediimide dimer acceptor system. Journal of the American Chemical Society 139 (2) , pp. 749-756. 10.1021/jacs.6b10140

Hatcher, Lauren E.

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Hayward, James S., Smith, Paul J., Kondrat, Simon A., Bowker, Michael

2017. The effects of secondary oxides on copper-based catalysts for green methanol synthesis. ChemCatChem 9 (9) , pp. 1655-1662. 10.1002/cctc.201601692

He, Qian

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Hellier, Pip, Wells, Peter P, Gianolio, Diego and Bowker, Michael

2017. VOx/Fe2O3 Shell-Core Catalysts for the selective oxidation of methanol to formaldehyde. Topics in Catalysis 10.1007/s11244-017-0873-2

Hernandez-Tamargo, Carlos E., Roldan Martinez, Alberto

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2017. Periodic modeling of zeolite Ti-LTA. Journal of Chemical Physics 147 (7) , 074701. 10.1063/1.4998296

Hernandez-Tamargo, Carlos E, Roldan Martinez, Alberto

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Hernandez, Naiara, Iniesta, Jesus, Leguey, Vicente Montiel, Armstrong, Robert, Taylor, Stuart H.

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Hirata, So, Doran, Alexander E., Knowles, Peter J.

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Hokamp, Tobias, Dewanji, Abhishek, Lübbesmeyer, Maximilian, Mück-Lichtenfeld, Christian, Würthwein, Ernst-Ulrich and Studer, Armido 2017. Radical hydrodehalogenation of aryl bromides and chlorides with sodium hydride and 1,4-Dioxane. Angewandte Chemie - International Edition 56 (43) , pp. 13275-13278. 10.1002/anie.201706534

Hossain, M.R., Wray, D., Paul, Alison

and Griffiths, P.C. 2017. Probing the surfaces of core-shell and hollow nanoparticles by solvent relaxation NMR. Magnetic Resonance in Chemistry 56 (4) , pp. 251-256. 10.1002/mrc.4707

Howard, Joseph L., Sagatov, Yerbol, Repusseau, Laura, Schotten, Christiane and Browne, Duncan L.

2017. Controlling reactivity through liquid assisted grinding: the curious case of mechanochemical fluorination. Green Chemistry 12 , pp. 2798-2802. 10.1039/C6GC03139K

Howard, Joseph L., Nicholson, William, Sagatov, Yerbol and Browne, Duncan L.

2017. One-pot multistep mechanochemical synthesis of fluorinated pyrazolones. Beilstein Journal of Organic Chemistry 13 , pp. 1950-1956. 10.3762/bjoc.13.189

Howard, Joseph L., Schotten, Christiane and Browne, Duncan L.

2017. Continuous flow synthesis of antimalarials: opportunities for distributed autonomous chemical manufacturing. Reaction Chemistry and Engineering 2 (3) , pp. 281-287. 10.1039/C7RE00034K

Hughes, Robert L., Johnson, Luke A.

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2017. A rapid analysis of variations in conformational behavior during dihydrofolate reductase catalysis. Biochemistry 56 (15) , pp. 2126-2133. 10.1021/acs.biochem.7b00045

Hughes, Colan E., Reddy, G. N. Manjunatha, Masiero, Stefano, Brown, Steven P., Williams, P. Andrew and Harris, Kenneth D. M.

2017. Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif. Chemical Science 8 (5) , pp. 3971-3979. 10.1039/C7SC00587C

Hutchings, Graham John

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2017. New insights into the activation and deactivation of Au/CeZrO4 in the low-temperature water-gas shift reaction. Angewandte Chemie International Edition 56 (50) , pp. 16037-16041. 10.1002/anie.201709708

Iqbal, Sarwat, Shozi, M. L. and Morgan, David John

2017. X-ray induced reduction of rhenium salts and supported oxide catalysts. Surface and Interface Analysis 49 (3) , pp. 223-226. 10.1002/sia.6076

Irrera, Simona, Ruiz-Hernandez, Sergio E.

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Ishikawa, Satoshi, Jones, Daniel R., Iqbal, Sarwat, Reece, Christian, Morgan, David J.

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Ishikawa, Satoshi, Goto, Yoshinori, Kawahara, Yoshito, Inukai, Shoma, Hiyoshi, Norihito, Dummer, Nicholas

, Murayama, Toru, Yoshida, Akihiro, Sadakane, Masahiro and Ueda, Wataru 2017. Synthesis of crystalline microporous Mo−V−Bi oxide for selective (Amm)oxidation of light alkanes. Chemistry of Materials 29 (7) , pp. 2939-2950. 10.1021/acs.chemmater.6b05224

Ivars-Barceló, Francisco, Hutchings, Graham j.

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Jadhavar, Ashok, Pawbake, Amit, Waykar, Ravindra, Jadkar, Vijaya, Kulkarni, Rupali, Bhorde, Ajinkya, Rondiya, Sachin, Funde, Adinath, Patil, Dinkar, Date, Abhijit, Pathan, Habib and Jadkar, Sandesh 2017. Growth of hydrogenated nano-crystalline silicon (nc-Si:H) films by plasma enhanced chemical vapor deposition (PE-CVD). Energy Procedia 110 , pp. 45-52. 10.1016/j.egypro.2017.03.104

James Martin, David, Decarolis, Donato, Odarchenko, Yaroslav I., Herbert, Jennifer J., Arnold, Thomas, Rawle, Jonathan, Nicklin, Chris, Boyen, Hans-Gerd and Beale, Andrew M. 2017. Reversible restructuring of supported Au nanoparticles during butadiene hydrogenation revealed by operando GISAXS/GIWAXS. Chemical Communications 53 (37) , p. 5159. 10.1039/C7CC01887H

Jana, Atanu, Pope, Simon

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Jang, Jae Hyuck, Kim, Young-Min, He, Qian

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Jing, Fangli, Katryniok, Benjamin, Paul, Sébastien, Fang, Lin, Liebens, Armin, Shen, Ming, Hu, Bingwen, Dumeignil, Franck and Pera-Titus, Marc 2017. Al-doped SBA-15 catalysts for low-temperature dehydration of 1,3-butanediol into butadiene. ChemCatChem 9 (2) , pp. 258-262. 10.1002/cctc.201601202

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Jones, Wilm Vincent, Martin, David James, Caravaca, Angel, Beale, Andrew M., Bowker, Michael

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Jones, Corey L., Marsden, Elizabeth A., Nevin, Adam C., Kariuki, Benson M.

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Jürgens, Sophie, Scalcon, Valeria, Estrada-Ortiz, Natalia, Folda, Alessandra, Tonolo, Federica, Jandl, Christian, Browne, Duncan L.

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Karaca, Özden, Meier-Menches, Samuel, Casini, Angela

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Kellici, Suela, Acord, John, Power, Nicholas P., Morgan, David John

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Kremleva, A., Aparicio Sanchez, Pablo

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Kubiak, Marco and Tinsley, Matthew C. 2017. Sex-specific Rroutes to immune senescence In Drosophila melanogaster. Scientific Reports 7 (1) , 10417. 10.1038/s41598-017-11021-6

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Li, S., Li, Z., Burnett, T.L., Slater, T.J.A.

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Li, Weiwei, He, Qian

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Lord, Alex M., Ramasse, Quentin M., Kepaptsoglou, Despoina M., Evans, Jonathan E., Davies, Philip R.

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Malhotra, Shashwat, Singh, Seema, Rana, Neha, Tomar, Shilpi, Bhatnagar, Priyanka, Gupta, Mohit, Singh, Suraj K., Singh, Brajendra K., Chhillar, Anil K., Prasad, Ashok K., Len, Christophe, Kumar, Pradeep, Gupta, Kailash C., Varma, Anjani J., Kuhad, Ramesh C., Sharma, Gainda L., Parmar, Virinder S. and Richards, Nigel

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Midega, Charles A.O., Wasonga, Charles J., Hooper, Antony M., Pickett, John

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Olsson, Emilia, Aparicio-Anglès, Xavier and De Leeuw, Nora

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Pan, Hua, Jian, Yanfei, Chen, Changwei, He, Chi, Hao, Zhengping, Shen, Zhenxing and Liu, Hongxia 2017. Sphere-shaped Mn3O4 catalyst with remarkable low-temperature activity for Methyl-Ethyl-Ketone combustion. Environmental Science & Technology 51 (11) , pp. 6288-6297. 10.1021/acs.est.7b00136

Patel, Shanaya, Shaikh, Faraz, Devaraji, Vinod, Radadiya, Ashish

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Patra, Tuhin and Maiti, Debabrata 2017. Decarboxylation as the key step in C−C bond‐forming reactions. Chemistry - A European Journal 23 (31) , pp. 7382-7401. 10.1002/chem.201604496

Patzsch, Julia, Folli, Andrea

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Paul, Alison

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Pawar, S., Slater, T.J.A.

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Pegg, James T., Aparicio-Anglès, Xavier, Storr, Mark and De Leeuw, Nora

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Pellow, Katy J., Wingad, Richard L. and Wass, Duncan F.

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Peneau, Virginie, Armstrong, Robert, Shaw, Greg, Xu, Jun, Jenkins, Robert, Morgan, David John

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Pereira, Jorge F., Sarria, André L. F., Powers, Stephen J., Aradottir, Gudbjorg I., Caulfield, John C., Martin, Janet, Smart, Lesley E., Pickett, John

, Birkett, Michael A. and Pereira, Paulo R. V. S. 2017. DIMBOA levels in hexaploid Brazilian wheat are not associated with antibiosis against the cereal aphids Rhopalosiphum padi and Sitobion avenae. Theoretical and Experimental Plant Physiology 29 (2) , pp. 61-75. 10.1007/s40626-017-0084-z

Petretto, Giacomo L., Urgeghe, P. Paolo, Mascia, Ilaria, Fadda, Costantino, Rourke, Jonathan P.

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Petretto, Giacomo Luigi, Tuberoso, Carlo Ignazio Giovanni, Fenu, Maurizio Antonio, Rourke, Jonathan P.

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Pflueger, Jason J., Morrill, Louis C.

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Phaahlamohlaka, Tumelo N., Kumi, David O., Dlamini, Mbongiseni W., Forbes, Roy, Jewell, Linda L., Billing, David G. and Coville, Neil J. 2017. Effects of Co and Ru Intimacy in Fischer-Tropsch catalysts using hollow carbon sphere supports: assessment of the hydrogen spillover processes. ACS Catalysis 7 (3) , pp. 1568-1578. 10.1021/acscatal.6b03102

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Pizzutilo, Enrico, Freakley, Simon J., Cherevko, Serhiy, Venkatesan, Sriram, Hutchings, Graham John

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Pizzutilo, Enrico, Freakley, Simon J., Geiger, Simon, Baldizzone, Claudio, Mingers, Andrea, Hutchings, Graham John

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Pizzutilo, Enrico, Kasian, Olga, Choi, Chang Hyuck, Cherevko, Serhiy, Hutchings, Graham

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Polidano, Kurt, Reed-Berendt, Benjamin, Basset, Anais, Watson, Andrew, Williams, Jonathan M. J. and Morrill, Louis

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Polyak, Iakov

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Pope, Simon J. A.

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Smith, Paul J., Kondrat, Simon A., Carter, James H., Chater, Philip A., Bartley, Jonathan K.

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