| Band alignment of rutile and anatase TiO2 DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ... Nature materials 12 (9), 798-801, 2013 | 2498 | 2013 |
| Potential models for ionic oxides GV Lewis, CRA Catlow Journal of Physics C: Solid State Physics 18 (6), 1149, 1985 | 1507 | 1985 |
| QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis P Sherwood, AH de Vries, MF Guest, G Schreckenbach, CRA Catlow, ... Journal of Molecular Structure: THEOCHEM 632 (1-3), 1-28, 2003 | 1095 | 2003 |
| Radiation effects in crystalline ceramics for the immobilization of high-level nuclear waste and plutonium WJ Weber, RC Ewing, CRA Catlow, TD De La Rubia, LW Hobbs, ... Journal of Materials Research 13 (6), 1434-1484, 1998 | 1066 | 1998 |
| Computer simulation of solids CRA Catlow, WC Mackrodt Computer Simulation of Solids 166, 1982 | 778 | 1982 |
| The role of oxygen vacancies on ceria surfaces in the oxidation of carbon monoxide TXT Sayle, SC Parker, CRA Catlow Surface Science 316 (3), 329-336, 1994 | 631 | 1994 |
| Interatomic potentials for SiO 2 MJ Sanders, M Leslie, CRA Catlow Journal of the Chemical Society, Chemical Communications, 1271-1273, 1984 | 600 | 1984 |
| Oxygen ion migration in perovskite-type oxides M Cherry, MS Islam, CRA Catlow Journal of Solid State Chemistry 118 (1), 125-132, 1995 | 534 | 1995 |
| Point defects in materials F Agulló-López, CRA Catlow, PD Townsend (No Title), 1988 | 527 | 1988 |
| Advances in theory and their application within the field of zeolite chemistry V Van Speybroeck, K Hemelsoet, L Joos, M Waroquier, RG Bell, ... Chemical Society Reviews 44 (20), 7044-7111, 2015 | 525 | 2015 |
| Point defect and electronic properties of uranium dioxide CRA Catlow Proceedings of the Royal Society of London. A. Mathematical and Physical …, 1977 | 521 | 1977 |
| Identification of single-site gold catalysis in acetylene hydrochlorination G Malta, SA Kondrat, SJ Freakley, CJ Davies, L Lu, S Dawson, A Thetford, ... Science 355 (6332), 1399-1403, 2017 | 448 | 2017 |
| Interionic potentials for alkali halides CRA Catlow, KM Diller, MJ Norgett Journal of Physics C: Solid State Physics 10 (9), 1395, 1977 | 448 | 1977 |
| Bridging hydrodyl groups in zeolitic catalysts: a computer simulation of their structure, vibrational properties and acidity in protonated faujasites (H Y zeolites) KP Schröder, J Sauer, M Leslie, C Richard, A Catlow, JM Thomas Chemical physics letters 188 (3-4), 320-325, 1992 | 445 | 1992 |
| The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation SM Woodley, PD Battle, JD Gale, CRA Catlow Physical Chemistry Chemical Physics 1 (10), 2535-2542, 1999 | 435 | 1999 |
| Computer simulation studies of zeolite structure RA Jackson, CRA Catlow Molecular Simulation 1 (4), 207-224, 1988 | 423 | 1988 |
| Defect energetics in α-Al 2 O 3 and rutile Ti O 2 CRA Catlow, R James, WC Mackrodt, RF Stewart Physical Review B 25 (2), 1006, 1982 | 405 | 1982 |
| Defect studies of doped and undoped barium titanate using computer simulation techniques GV Lewis, CRA Catlow Journal of Physics and Chemistry of Solids 47 (1), 89-97, 1986 | 404 | 1986 |
| Self-consistent interatomic potentials for the simulation of binary and ternary oxides C Richard A áCatlow Journal of Materials Chemistry 4 (6), 831-837, 1994 | 400 | 1994 |
| Dopant ion radius and ionic conductivity in cerium dioxide V Butler, CRA Catlow, BEF Fender, JH Harding Solid State Ionics 8 (2), 109-113, 1983 | 399 | 1983 |