C. Richard A. Catlow
C. Richard A. Catlow
professor of Chemistry
Verifierad e-postadress på ucl.ac.uk
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Band alignment of rutile and anatase TiO 2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
18092013
Potential models for ionic oxides
GV Lewis, CRA Catlow
Journal of Physics C: Solid State Physics 18 (6), 1149, 1985
13631985
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
9481998
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
8622003
Computer simulation of solids
CRA Catlow
7161982
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
5771994
Interatomic potentials for SiO 2
MJ Sanders, M Leslie, CRA Catlow
Journal of the Chemical Society, Chemical Communications, 1271-1273, 1984
5311984
Point defect and electronic properties of uranium dioxide
CRA Catlow
Proceedings of the Royal Society of London. A. Mathematical and Physical …, 1977
4991977
Point defects in materials
F Agulló-López, CRA Catlow, PD Townsend
Academic press, 1988
4771988
Oxygen ion migration in perovskite-type oxides
M Cherry, MS Islam, CRA Catlow
Journal of Solid State Chemistry 118 (1), 125-132, 1995
4441995
Interionic potentials for alkali halides
CRA Catlow, KM Diller, MJ Norgett
Journal of Physics C: Solid State Physics 10 (9), 1395, 1977
4241977
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
4051992
Computer simulation studies of zeolite structure
RA Jackson, CRA Catlow
Molecular Simulation 1 (4), 207-224, 1988
3991988
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
3782000
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
3771982
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
3701999
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
3661983
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
3631986
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
3541994
De novo design of structure-directing agents for the synthesis of microporous solids
DW Lewis, DJ Willock, CRA Catlow, JM Thomas, GJ Hutchings
Nature 382 (6592), 604-606, 1996
3121996
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Artiklar 1–20