Steve Parker
Steve Parker
Professor of Chemistry, University of Bath
Verified email at bath.ac.uk
Title
Cited by
Cited by
Year
Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
M Nolan, S Grigoleit, DC Sayle, SC Parker, GW Watson
Surface Science 576 (1-3), 217-229, 2005
6582005
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
M Nolan, SC Parker, GW Watson
Surface Science 595 (1-3), 223-232, 2005
6512005
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
5791994
Surface structure and morphology of calcium carbonate polymorphs calcite, aragonite, and vaterite: an atomistic approach
NH de Leeuw, SC Parker
The Journal of Physical Chemistry B 102 (16), 2914-2922, 1998
5021998
Free energy of adsorption of water and metal ions on the {1014} calcite surface
S Kerisit, SC Parker
Journal of the American Chemical Society 126 (32), 10152-10161, 2004
2862004
ElAM: A computer program for the analysis and representation of anisotropic elastic properties
A Marmier, ZAD Lethbridge, RI Walton, CW Smith, SC Parker, KE Evans
Computer Physics Communications 181 (12), 2102-2115, 2010
2522010
Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water
NH De Leeuw, SC Parker
Physical Review B 58 (20), 13901, 1998
2391998
Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water
NH De Leeuw, SC Parker
Physical Review B 58 (20), 13901, 1998
2391998
Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces
NH de Leeuw, SC Parker
Journal of the Chemical Society, Faraday Transactions 93 (3), 467-475, 1997
2321997
Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces
NH de Leeuw, SC Parker
Journal of the Chemical Society, Faraday Transactions 93 (3), 467-475, 1997
2321997
Modeling the surface structure and stability of α-quartz
NH de Leeuw, FM Higgins, SC Parker
The Journal of Physical Chemistry B 103 (8), 1270-1277, 1999
2161999
Modeling the surface structure and stability of α-quartz
NH de Leeuw, FM Higgins, SC Parker
The Journal of Physical Chemistry B 103 (8), 1270-1277, 1999
2161999
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
JM Skelton, SC Parker, A Togo, I Tanaka, A Walsh
Physical Review B 89 (20), 205203, 2014
2012014
Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria
M Molinari, SC Parker, DC Sayle, MS Islam
The Journal of Physical Chemistry C 116 (12), 7073-7082, 2012
2002012
Water adsorption and its effect on the stability of low index stoichiometric and reduced surfaces of ceria
M Molinari, SC Parker, DC Sayle, MS Islam
The Journal of Physical Chemistry C 116 (12), 7073-7082, 2012
2002012
Modelling of the thermal dependence of structural and elastic properties of calcite, CaCO3
A Pavese, M Catti, SC Parker, A Wall
Physics and chemistry of minerals 23 (2), 89-93, 1996
2001996
Ab initio calculation of the origin of the distortion of α-PbO
GW Watson, SC Parker, G Kresse
Physical Review B 59 (13), 8481, 1999
1881999
Lithium Insertion and Transport in the TiO2− B Anode Material: A Computational Study
C Arrouvel, SC Parker, MS Islam
Chemistry of Materials 21 (20), 4778-4783, 2009
1872009
Computer modelling of phase transitions in minerals
SC Parker, GD Price
Advances in Solid State Chemistry 1, 295-327, 1989
1761989
Oxidising CO to CO2 using ceria nanoparticles
TXT Sayle, SC Parker, DC Sayle
Physical Chemistry Chemical Physics 7 (15), 2936-2941, 2005
1722005
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