| 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 | 844 | 2005 |
| 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 | 839 | 2005 |
| 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 | 672 | 1998 |
| 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 | 630 | 1994 |
| 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 | 394 | 2010 |
| 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 | 336 | 2004 |
| 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 | 273 | 2012 |
| 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 | 273 | 2012 |
| 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 | 272 | 2014 |
| Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport JM Skelton, LA Burton, AJ Jackson, F Oba, SC Parker, A Walsh Physical Chemistry Chemical Physics 19 (19), 12452-12465, 2017 | 260 | 2017 |
| 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 | 260 | 1999 |
| 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 | 260 | 1999 |
| 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 | 256 | 1997 |
| 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 | 256 | 1997 |
| 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 | 250 | 1998 |
| 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 | 250 | 1998 |
| Phase stability and transformations in the halide perovskite CsSnI 3 EL da Silva, JM Skelton, SC Parker, A Walsh Physical Review B 91 (14), 144107, 2015 | 218 | 2015 |
| 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 | 215 | 2009 |
| 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 | 212 | 1996 |
| Rutile (β-) MnO2 Surfaces and Vacancy Formation for High Electrochemical and Catalytic Performance DA Tompsett, SC Parker, MS Islam Journal of the American Chemical Society 136 (4), 1418-1426, 2014 | 209 | 2014 |
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie