C. Richard A. Catlow
C. Richard A. Catlow
professor of Chemistry
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Cited by
Cited by
Band alignment of rutile and anatase TiO2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
Potential models for ionic oxides
GV Lewis, CRA Catlow
Journal of Physics C: Solid State Physics 18 (6), 1149, 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
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
Computer simulation of solids
CRA Catlow, WC Mackrodt
Computer Simulation of Solids 166, 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
Interatomic potentials for SiO 2
MJ Sanders, M Leslie, CRA Catlow
Journal of the Chemical Society, Chemical Communications, 1271-1273, 1984
Point defects in materials
F Agulló-López, CRA Catlow, PD Townsend
(No Title), 1988
Point defect and electronic properties of uranium dioxide
CRA Catlow
Proceedings of the Royal Society of London. A. Mathematical and Physical …, 1977
Oxygen ion migration in perovskite-type oxides
M Cherry, MS Islam, CRA Catlow
Journal of Solid State Chemistry 118 (1), 125-132, 1995
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
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
Interionic potentials for alkali halides
CRA Catlow, KM Diller, MJ Norgett
Journal of Physics C: Solid State Physics 10 (9), 1395, 1977
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
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
Computer simulation studies of zeolite structure
RA Jackson, CRA Catlow
Molecular Simulation 1 (4), 207-224, 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
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
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
Relative energies of surface and defect states: ab initio calculations for the MgO (001) surface
PV Sushko, AL Shluger, CRA Catlow
Surface Science 450 (3), 153-170, 2000
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