Steve Parker
Steve Parker
Professor of Chemistry, University of Bath
Dirección de correo verificada de bath.ac.uk
TítuloCitado porAño
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
5712005
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
5552005
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
5291994
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
4251998
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
2502004
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
2221998
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
2221998
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
2151997
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
2151997
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
1921999
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
1921999
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
1871996
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
1852010
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
1672009
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
1641999
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
1632012
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
1632012
Computer modelling of phase transitions in minerals
SC Parker, GD Price
Advances in Solid State Chemistry 1, 295-327, 1989
1631989
Atomistic simulation of the effect of dissociative adsorption of water on the surface structure and stability of calcium and magnesium oxide
NH De Leeuw, GW Watson, SC Parker
The Journal of Physical Chemistry 99 (47), 17219-17225, 1995
1621995
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
1572014
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