| Crystal structure prediction from first principles SM Woodley, R Catlow Nature materials 7 (12), 937-946, 2008 | 762 | 2008 |
| Computational modeling study of bulk and surface of yttria-stabilized cubic zirconia X Xia, R Oldman, R Catlow Chemistry of Materials 21 (15), 3576-3585, 2009 | 119 | 2009 |
| Computer modelling of fluids polymers and solids R Catlow, SC Parker, MP Allen Springer Science & Business Media, 2012 | 110 | 2012 |
| Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets B Liu, S Xu, M Zhang, X Li, D Decarolis, Y Liu, Y Wang, EK Gibson, ... Green Chemistry 23 (11), 4034-4043, 2021 | 104 | 2021 |
| Probing the role of a non‐thermal plasma (NTP) in the hybrid NTP catalytic oxidation of methane EK Gibson, CE Stere, B Curran‐McAteer, W Jones, G Cibin, D Gianolio, ... Angewandte Chemie International Edition 56 (32), 9351-9355, 2017 | 67 | 2017 |
| Computational approaches to energy materials R Catlow, A Sokol, A Walsh John Wiley & Sons, 2013 | 64 | 2013 |
| Defect formation in In 2 O 3 and SnO 2: A new atomistic approach based on accurate lattice energies Q Hou, J Buckeridge, T Lazauskas, D Mora-Fonz, AA Sokol, SM Woodley, ... Journal of Materials Chemistry C 6 (45), 12386-12395, 2018 | 48 | 2018 |
| Defects and disorder in crystalline and amorphous solids R Catlow Springer Science & Business Media, 2012 | 47 | 2012 |
| Advances in sustainable catalysis: A computational perspective MG Quesne, F Silveri, NH De Leeuw, CRA Catlow Frontiers in chemistry 7, 182, 2019 | 42 | 2019 |
| Combined Rietveld-molecular dynamics powder diffraction approach to the location of molecules in porous solids: application to 1, 4-dibromobutane in zeolite Y ZA Kaszkur, RH Jones, D Waller, CRA Catlow, JM Thomas The Journal of Physical Chemistry 97 (2), 426-431, 1993 | 38 | 1993 |
| Structure prediction of crystals, surfaces and nanoparticles SM Woodley, GM Day, R Catlow Philosophical Transactions of the Royal Society A 378 (2186), 20190600, 2020 | 35 | 2020 |
| Combined in situ XAFS/DRIFTS studies of the evolution of nanoparticle structures from molecular precursors EK Dann, EK Gibson, RA Catlow, P Collier, T Eralp Erden, D Gianolio, ... Chemistry of Materials 29 (17), 7515-7523, 2017 | 34 | 2017 |
| Investigating the Effect of NO on the Capture of CO2 Using Superbase Ionic Liquids for Flue Gas Applications AJ Greer, SFR Taylor, H Daly, M Quesne, CRA Catlow, J Jacquemin, ... ACS sustainable chemistry & engineering 7 (3), 3567-3574, 2019 | 31 | 2019 |
| IR spectroscopy and hydrogen bonding in minerals A Beran, E Libowitzky NATO ASI SERIES C MATHEMATICAL AND PHYSICAL SCIENCES 543, 493-508, 1999 | 26 | 1999 |
| The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol M Bowker, N Lawes, I Gow, J Hayward, JR Esquius, N Richards, LR Smith, ... ACS catalysis 12 (9), 5371-5379, 2022 | 24 | 2022 |
| 25 Computer modelling of inorganic materials R Catlow, R Bell, F Cora, SA French, B Slater, A Sokol Annual Reports Section" A"(Inorganic Chemistry) 101, 513-547, 2005 | 24 | 2005 |
| Modern developments in catalysis GJ Hutchings, MG Davidson, RCA Catlow, C Hardacre, NJ Turner, ... World Scientific, 2016 | 21 | 2016 |
| Ab-initio simulations of magnetic iron sulphides S Wells, D Alfe, L Blanchard, J Brodholt, M Calleja, R Catlow, D Price, ... Molecular Simulation 31 (5), 379-384, 2005 | 19 | 2005 |
| Modelling the bulk properties of ambient pressure polymorphs of zirconia M Delarmelina, MG Quesne, CRA Catlow Physical Chemistry Chemical Physics 22 (12), 6660-6676, 2020 | 18 | 2020 |
| The influence of oxygen vacancy and Ce 3+ ion positions on the properties of small gold clusters supported on CeO 2− x (111) J Engel, E Schwartz, CRA Catlow, A Roldan Journal of materials chemistry A 8 (31), 15695-15705, 2020 | 18 | 2020 |
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
