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Number of items at this level: 5310.

2021

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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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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2020

Abedin, Md Ashraful, Kanitkar, Swarom, Kumar, Nitin, Wang, Zi, Ding, Kunlun, Hutchings, Graham 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, Dimitratos, Nikolaos, Sankar, Meenakshisundaram, Freakley, Simon J. and Hutchings, Graham J. 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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Abis, Laura, Dimitritatos, Nikolaos, Meenakshisundaram, Sankar, Freakley, Simon J. and Hutchings, Graham J. 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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Adesina, Aduragbemi S., Swiderek, Katarzyna, Luk, Louis Y. P., Moliner, Vicent and Allemann, Rudolf K. 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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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. 2020. The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. Catalysis Today 10.1016/j.cattod.2020.09.001
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Aïssaoui, Lamia, Knowles, Peter J. 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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Allender, Christopher J., Bowen, Jenna L., Celorrio, Veronica, Davies-Jones, Josh A., Davies, Philip R., Guan, Shaoliang, O'Reilly, Padraic and Meenakshisundaram, Sankar 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. 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. 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. 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. 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. 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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Amakali, Theopolina, Daniel, Likius. S., Uahengo, Veikko, Dzade, Nelson Y. and de Leeuw, Nora H. 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 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., 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. and De Leeuw, Nora H. 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., 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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Asghar, Aisha, Iqbal, Naseem, Aftab, Leena, Noor, Tayyaba, Kariuki, Benson M., Kidwell, Luke and Easun, Timothy L. 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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Bade, Bharat R., Rondiya, Sachin R., Jadhav, Yogesh A., Kamble, Mahesh M., Barma, Sunil V., Jathar, Sagar B., Nasane, Mamta P., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y. 2020. Investigations of the structural, optoelectronic and band alignment properties of Cu2ZnSnS4 prepared by hot-injection method towards low-cost photovoltaic applications. Journal of Alloys and Compounds , 157093. 10.1016/j.jallcom.2020.157093
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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. 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., 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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Basak, Shyam, Alvarez-Montoya, Ana, Winfrey, Laura, Melen, Rebecca L., Morrill, Louis C. 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. 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, Carter, James H., Davies, Philip R., Edwards, Lee E., Harris, Kenneth D. M., Hughes, Colan E., Robinson, Fiona, Morgan, David J. 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

Biot, Nicolas and Bonifazi, Davide 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 2020. Chalcogen-bond driven molecular recognition at work. Coordination Chemistry Reviews 413 , 213243. 10.1016/j.ccr.2020.213243
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Bonsignore, Riccardo, Thomas, Sophie, Klooster, Wim, Coles, Simon, Bourissou, Didier, Jenkins, Robert, Barone, Giampaolo and Casini, Angela 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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Bouleghlimat, Emir, Bethell, Donald and Davies, Philip R. 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. 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, 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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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. and Friscic, Tomislav 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8) , pp. 2141-2147. 10.1039/C9SC05514B
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Cai, Rongsheng, Malta, Grazia, Haigh, Sarah J., Hutchings, Graham J., 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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Campisi, Sebastiano, Beevers, Cameron, Nasrallah, Ali, Catlow, C. Richard A., Chan-Thaw, Carine e., Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J., 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. 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. 2020. Halogenated triarylboranes: synthesis, properties and applications in catalysis. Chemical Society Reviews 49 (6) , pp. 1706-1725. 10.1039/C9CS00769E
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Caswell, Thomas, Dlamini, Mbongiseni W., Miedziak, Peter J., Pattisson, Samuel, Davies, Philip R., Taylor, Stuart H. and Hutchings, Graham J. 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, Davidson, Matthew, Hutchings, Graham J. 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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Cattaneo, Stefano, Bonincontro, Danilo, Bere, Takudzwa, Kiely, Christopher J., Hutchings, Graham J., 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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Charles, Bethan, Weller, Mark T., Rieger, Sebastian, Hatcher, Lauren E., 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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Cheruiyot, Duncan, Midega, Charles A.O., Pittchar, Jimmy O., Pickett, John A. 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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Chutia, Arunabhiram, Thetford, Adam, Stamatakis, Michail and Catlow, C. Richard A. 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., Golunski, Stan and Taylor, Stuart H. 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. 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. 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 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, Jin, Yi, Roth, Christian, Miller, David J. and Allemann, Rudolf K. 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., Shaw, Greg, Freakley, Simon J., Hutchings, Graham J. 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 M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J., Davies, Thomas E., Edwards, Jennifer. K., Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. 2020. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters 10.1007/s10562-020-03281-1
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Cross, Russell W. and Dzade, Nelson Y. 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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Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y. 2020. First-principles DFT Insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: implications for direct hydrazine fuel cells. Applied Surface Science , 147648. 10.1016/j.apsusc.2020.147648
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Cuenca, Jerome A., Mandal, Soumen, Morgan, David J., Snowball, Malcolm, Porch, Adrian and Williams, Oliver A. 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. 2020. Transition metal free α-C-alkylation of ketones using secondary alcohols. Tetrahedron , 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. 2020. Borane-ctalyzed stereoselective C–H insertion, cyclopropanation, and ring-opening reactions. Chem 10.1016/j.chempr.2020.06.035
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Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca 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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Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca L. 2020. Triarylboran‐katalysierte Alkenylierungen von Arylestern mit Diazoverbindungen. Angewandte Chemie 132 (36) , pp. 15621-15626. 10.1002/ange.202007176
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Davies, Philip R. and Morgan, David J. 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., Domarkas, Juozas, Nigam, Shubhanchi, Renard, Isaline, Cawthorne, Christopher, Burke, Benjamin P., Bahra, Gurmit S., Oyston, Petra C. F., Fallis, Ian A., Archibald, Stephen J. and Pope, Simon J. A. 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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Day, Adam H., Ubler, Martin H., Best, Hannah L., Lloyd-Evans, Emyr, Mart, Robert J., Fallis, Ian A., Allemann, Rudolf K., Al-Wattar, Eman A. H., Keymer, Nathaniel I., Buurma, Niklaas J. and Pope, Simon J. A. 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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Delarmelina, Maicon, 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, Quesne, Matthew G. and Catlow, C. Richard A. 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. 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., Willock, David J., Hutchings, Graham J. and Dummer, Nicholas F. 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, Folli, Andrea, Murphy, Damien, Meziere, Cecile, Allain, Magali, Sallé, Marc, Mañas-Valero, Samuel, Coronado, Eugenio and Bonifazi, Davide 2020. O-doped nanographenes: the 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, Battisti, Tommaso, Ward, Benjamin D., Demitri, Nicola, Hughes, Colan E., Williams, P. Andrew, Harris, Kenneth D.M and Bonifazi, Davide 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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Douthwaite, Mark, Powell, Natasha, Taylor, Aoife, Ford, Grayson, López, José Manuel, Solsona, Benjamin, Yang, Nating, Sanahuja-Parejo, Olga, He, Qian, Morgan, David J., Garcia, Tomas and Taylor, Stuart H. 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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Dzade, Nelson Y. 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. 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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El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M. 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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Elsherbini, Mohamed, Winterson, Bethan, Alharbi, Haifa, Folgueiras Amador, Ana A., Genot, Célina and Wirth, Thomas 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 2019. Electroorganic synthesis under flow conditions. Accounts of Chemical Research 52 (12) , pp. 3287-3296. 10.1021/acs.accounts.9b00497
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Estrada-Ortiz, Natalia, Lopez-Gonzales, Elena, Woods, Ben, Stürup, Stefan, de Graaf, Inge A. M., Groothuis, Geny M. M. and Casini, Angela 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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Fang, Huihuang, Roldan Martinez, Alberto, Tian, Chenchen, Zheng, Yanping, Duan, Xinping, Chen, Kun, Ye, Linmin, Leoni, Stefano 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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Faulkner, Christopher, Plant, David F. and de Leeuw, Nora H. 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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Gambu, Thobani G., Terranova, Umberto, Santos Carballal, David, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H. 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. 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., Davies, Thomas E., Lu, Li, He, Qian, Kiely, Christopher J. and Taylor, Stuart H. 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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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 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., 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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Hellier, Pip, Wells, Peter P and Bowker, Michael 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. 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 and de Leeuw, Nora H. 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 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, 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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Zhou, Yating, Patterson, Rhian, Palmer, Benjamin, Edwards-Gau, Gregory R, Kariuki, Benson, Nambalan Sivaraman, Saleesh Kumar, Bruce, Duncan W, Dolbnya, Igor P., Collins, Stephen P, Malandain, Andrew and Harris, Kenneth D M 2019. Spatially resolved mapping of phase transitions in liquid-crystalline materials by X-ray birefringence imaging. Chemical Science 10 (10) , -. 10.1039/C8SC05285A
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Zhou, Yating, Patterson, Rhian, Williams, P. Andrew, Kariuki, Benson M., Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M. 2019. Temperature-dependent structural properties, phase transition behavior, and dynamic properties of a benzene derivative in the solid state. Crystal Growth and Design 19 (4) , pp. 2155-2162. 10.1021/acs.cgd.8b01775
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Zhu, Diya, LaFortune, James H. W., Melen, Rebecca L. 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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Zhu, Wen, Radadiya, Ashish, 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, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J. 2019. High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 (1) , 345. 10.1038/s42003-019-0587-z
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Zhu, Wen, Radadiya, Ashish, 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, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J. 2019. Author correction: High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 (1) , 438. 10.1038/s42003-019-0690-1
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Zivkovic, Aleksandar 2019. Computational investigations of copper oxides for solar cell applications. PhD Thesis, Cardiff University.
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Živković, Aleksandar, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H and Dzade, Nelson Y 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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Živkovic, Aleksandar, Roldan Martinez, Alberto and De Leeuw, Nora H. 2019. Density functional theory study explaining the underperformance of copper oxides as photovoltaic absorbers. Physical Review B 99 (3) , 035154. 10.1103/PhysRevB.99.035154
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Zivkovic, Aleksandar, Roldan Martinez, Alberto and de Leeuw, Nora H. 2019. Tuning the electronic band gap of Cu2O via transition metal doping for improved photovoltaic applications. Physical Review Materials 3 (11) , 115202. 10.1103/PhysRevMaterials.3.115202
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2018

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. 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, 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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Abayakoon, Palika, Lingford, James P., Jin, Yi, Bengt, Christopher, Davies, Gideon J., Yao, Shenggen, Goddard-Borger, Ethan D. and Williams, Spencer J. 2018. Discovery and characterization of a sulfoquinovose mutarotase using kinetic analysis at equilibrium by exchange spectroscopy. Biochemical Journal 475 (7) , pp. 1371-1383. 10.1042/BCJ20170947
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Abis, Laura 2018. Gold and gold-palladium catalysts synthesized by a modified Sol-immobilisation method for thermal and plasmonic glycerol oxidation. PhD Thesis, Cardiff University.
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Adamik, Robert, Hernández-Ibáñez, Naiara, Iniesta, Jesus, Edwards, Jennifer, Howe, Alexander, Armstrong, Robert, Taylor, Stuart, RoldanMartinez, Alberto, Rong, Yuanyang, Malpass-Evans, Richard, Carta, Mariolino, McKeown, Neil, He, Daping and Marken, Frank 2018. Platinum nanoparticle inclusion into a carbonized polymer of intrinsic microporosity: electrochemical characteristics of a catalyst for electroless hydrogen peroxide production. Nanomaterials 8 (7) , -. 10.3390/nano8070542
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Adesina, Aduragbemi 2018. Probing the basis of catalysis of dihydrofolate reductase. PhD Thesis, Cardiff University.
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Adishev, Aldiar, Arrigo, Rosa, Baletto, Francesca, Bordet, Alexis, Bukhtiyarov, Valerii, Carosso, Michele, Catlow, Richard, Conway, Matthew, Davies, Josh, Davies, Philip, De Masi, Déborah, Demirci, Cansunur, Edwards, Jennifer K., Friend, Cynthia, Gallarati, Simone, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham, Lai, Stanley, Lamberti, Carlo, Macino, Margherita, Marchant, David, Murayama, Toru, Odarchenko, Yaroslav, Peron, Jennifer, Prati, Laura, Quinson, Jonathan, Richards, Nia, Rogers, Scott, Russell, Andrea, Selvam, Parasuraman, Shah, Parag, Shozi, Mzamo, Skylaris, Chris-Kriton, Soulantica, Katerina, Spolaore, Federico, Tooze, Bob, Torrente-Murciano, Laura, Trunschke, Annette, Venezia, Baldassarre, Walker, James and Whiston, Keith 2018. Control of catalytic nanoparticle synthesis: general discussion. Faraday Discussions 208 , pp. 471-495. 10.1039/C8FD90015A
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Agarwal, Nishtha 2018. Low temperature selective oxidation of methane using hydrogen peroxide and oxygen. PhD Thesis, Cardiff University.
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Agarwal, Nishtha, Freakley, Simon, McVicker, Rebecca, Althahban, Sultan, Dimitratos, Nikolaos, He, Qian, Morgan, David, Willock, David, Taylor, Stuart, Kiely, Christopher J. and Hutchings, Graham 2018. Low temperature selective methane oxidation to methanol utilizing molecular oxygen with gold palladium colloidal catalysts. 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. American Chemical Society, p. 35.

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

Ahmed, Nisar 2018. Peptide bond frmations through flow chemistry. Chemical Biology and Drug Design 91 (2) , pp. 647-650. 10.1111/cbdd.13115
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Ahmed, Nisar 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, 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, De Almeida, Andreia, Meier-Menches, Samuel M. and Casini, Angela 2018. Aquaporins in cancer development: opportunities for bioinorganic chemistry to contribute novel chemical probes and therapeutic agents. Metallomics 10 (5) , pp. 696-712. 10.1039/C8MT00072G
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Aikman, Brech, Wenzel, Margot, Mósca, Andreia, De Almeida, Andreia, Klooster, Wim, Coles, Simon, Soveral, Graça and Casini, Angela 2018. Gold(III) pyridine-benzimidazole complexes as aquaglyceroporin inhibitors and antiproliferative agents. Inorganics 6 (4) , 123. 10.3390/inorganics6040123
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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., Tia, Richard, Adei, Evans, Catlow, C. R. A. and de Leeuw, Nora H. 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, Dawson, James A., Islam, M. Saiful and de Leeuw, Nora H. 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., Taylor, Stuart Hamilton and Hutchings, Graham John 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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Arrigo, Rosa, Badmus, Kassim, Baletto, Francesca, Boeije, Maurits, Brinkert, Katharina, Bugaev, Aram, Bukhtiyarov, Valerii, Carosso, Michele, Catlow, C Richard, Chutia, Arunabhiram, Davies, Philip, de Leeuw, Nora, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Hargreaves, Justin, Hutchings, Graham, 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 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. 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, James, Craig, 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. 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. 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, 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, 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 and Hutchings, Graham J. 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, Hutchings, Graham, 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, Hutchings, Graham, 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. 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., Davies, Josh, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Guan, Shaoliang, Hardacre, Christopher, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham J., 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 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. 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, Tunon, Inaki, Moliner, Vicent and Allemann, Rudolf K. 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, 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, 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 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, 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. 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. 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, 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, 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 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, Davies, Philip Rosser, Guan, Shaoliang, Morgan, David, 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, 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., Farrow, M. R., Logsdail, Andrew J., 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, Murphy, Damien M. 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 and De Leeuw, Nora H. 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., Wells, P.P. and Dimitratos, N. 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, Wells, Peter and Dimitratos, Nikolaos 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. American Chemical Society, p. 373.

Campisi, Sebastiano, Sanchez Trujillo, Felipe Juan, Motta, Davide, Davies, Thomas, Dimitratos, Nikolaos 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, Howard, Joseph L., Crawford, Deborah E., James, Stuart L. and Browne, Duncan L. 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, Howard, Joseph L., Wheatley, Emilie and Browne, Duncan L. 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 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., 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. 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 2018. Medicinal chemistry of gold anticancer metallodrugs. In: 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, Bonsignore, Riccardo 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 2018. The structural science of functional materials. IUCrJ 5 (1) , pp. 1-3. 10.1107/S2052252517018474
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Catlow, Charles Richard A. and Logsdail, Andrew 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 2018. Towards the continuous production of supported metal nanoparticles and their application in hydrogenation reactions. PhD Thesis, Cardiff University.
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Cattaneo, Stefano, Freakley, Simon, Morgan, David, Meenakshisundaram, Sankar, Dimitratos, Nikolaos and Hutchings, Graham 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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Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan E., Williams, P. Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth D. M. 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 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, Aura Odhiambo Midega, Charles, Van den Berg, Johnnie, Pickett, John A. 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 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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Cheruiyot, Duncan, Midega, Charles A.O., Van den Berg, Johnnie, Pickett, John A. 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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Chi Fru, Ernest, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain, He, Qian 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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Chow, Ying Kit 2018. Continuous gas phase methane oxidation using nitrous oxide over Fe-based zeolite. PhD Thesis, Cardiff University.
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Chow, Ying Kit, Dummer, Nicholas, Carter, James, Meyer, Randall, Armstrong, Robert, Williams, Christopher, Shaw, Greg, Jacobs, Sara, Bhasin, Madan, Willock, David, Taylor, Stuart and Hutchings, Graham John 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., Carter, James, Williams, Christopher, Shaw, Greg, Willock, David J., Taylor, Stuart H., Yacob, Sarah, Meyer, Randall J., Bhasin, Madan and Hutchings, Graham John 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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Chutia, Arunabhiram, Willock, David J and Catlow, C. Richard A. 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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Collier, T.A., Nash, A., Birch, H.L. and De Leeuw, Nora 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, Prati, Laura, Dimitratos, Nikolaos, 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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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. 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 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. 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 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. 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 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 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, Catherine, Thompson, Kate, Cooper, Anna, Golunski, Stanislaw, Taylor, Stuart H, 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, Johnston, Peter, Lalev, Georgi and Taylor, Stuart 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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Davies, Thomas Edward, Taylor, Stuart Hamilton 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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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, 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 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 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, Lai, Felcia, Váradi, Linda, Williams, Peter, Groundwater, Paul, Platts, James A., 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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Du, Jonathan J., Hanrahan, Jane R., Solomon, V. Raja, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A. 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. 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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Dürüst, Yasar, Karakus, Hamza, Kariuki, Benson M. 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 and De Leeuw, Nora H. 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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Dzade, Nelson Y. and de Leeuw, Nora H. 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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Easun, Timothy L. and Nevin, Adam C. 2018. Metal nodes and metal sites in metal-organic frameworks. In: 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., Newman, Paul David, Kariuki, Benson, 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., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson 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, Hegazy, Amany S. and Kariuki, Benson M. 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. 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. 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, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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 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., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson 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 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., Smith, Keith, Alamri, Mesfer, Morris, Ceri A., Kille, Peter and Kariuki, Benson M. 2018. 5-Bromo-1-(4-bromophenyl)isatin. IUCrData 3 (3) , x180426. 10.1107/S2414314618004261
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson 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 2018. S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate. IUCrData 3 (1) 10.1107/S2414314618000299
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El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson M. 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. 2018. Methyl N-(2-bromo-4-chlorophenyl)carbamate. IUCrData 3 (1) 10.1107/S2414314618000548
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Elsherbini, Mohamed and Wirth, Thomas 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 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, Pattisson, Samuel, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J. and Hutchings, Graham J. 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, Aparicio-Anglès, Xavier and De Leeuw, Nora H. 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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Fancelli, Marilene, Borges, Miguel, Laumann, Raul A, Pickett, John, 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. 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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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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Folgueiras-Amador, Ana A., Qian, Xiang-Yang, Xu, Haichao and Wirth, Thomas 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, Bloh, Jonathan Zacharias, Armstrong, Katherine Louise, Richards, Emma, Murphy, Damien M., Lu, Li, Kiely, Christopher, Morgan, David John, 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, 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. 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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Galvanin, Federico, Meenakshisundaram, Sankar, Cattaneo, Stefano, Bethell, Donald, Dua, Vivek, Hutchings, Graham John 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, 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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Gee, William J., Hatcher, Lauren E., 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. 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, Mandal, Soumen, Morgan, David, Lewis, Ryan, Davies, Philip R., Borri, Paola, Morley, Gavin W. and Williams, Oliver A. 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., 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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