| 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 | 831 | 2003 |
| Correlation between crystal structure and mobility in organic field-effect transistors based on single crystals of tetrathiafulvalene derivatives M Mas-Torrent, P Hadley, ST Bromley, X Ribas, J Tarrés, M Mas, E Molins, ... Journal of the American Chemical Society 126 (27), 8546-8553, 2004 | 287 | 2004 |
| Importance of intermolecular interactions in assessing hopping mobilities in organic field effect transistors: Pentacene versus dithiophene-tetrathiafulvalene ST Bromley, M Mas-Torrent, P Hadley, C Rovira Journal of the American Chemical Society 126 (21), 6544-6545, 2004 | 192 | 2004 |
| Modelling nano-clusters and nucleation CRA Catlow, ST Bromley, S Hamad, M Mora-Fonz, AA Sokol, ... Physical Chemistry Chemical Physics 12 (4), 786-811, 2010 | 188 | 2010 |
| Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Journal of Materials Chemistry 20 (46), 10535-10546, 2010 | 167 | 2010 |
| Greatly facilitated oxygen vacancy formation in ceria nanocrystallites A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Chemical communications 46 (32), 5936-5938, 2010 | 159 | 2010 |
| Single-crystal organic field-effect transistors based on dibenzo-tetrathiafulvalene M Mas-Torrent, P Hadley, ST Bromley, N Crivillers, J Veciana, C Rovira Applied Physics Letters 86 (1), 012110, 2005 | 157 | 2005 |
| Point defects in ZnO AA Sokol, SA French, ST Bromley, CRA Catlow, HJJ van Dam, ... Faraday discussions 134, 267-282, 2007 | 148 | 2007 |
| Density functional studies of model cerium oxide nanoparticles C Loschen, A Migani, ST Bromley, F Illas, KM Neyman Physical Chemistry Chemical Physics 10 (37), 5730-5738, 2008 | 134 | 2008 |
| Ultralow-density nanocage-based metal-oxide polymorphs J Carrasco, F Illas, ST Bromley Physical review letters 99 (23), 235502, 2007 | 123 | 2007 |
| A new interatomic potential for nanoscale silica E Flikkema, ST Bromley Chemical Physics Letters 378 (5-6), 622-629, 2003 | 122 | 2003 |
| Dust formation in the oxygen-rich AGB star IK Tauri D Gobrecht, I Cherchneff, A Sarangi, JMC Plane, ST Bromley Astronomy & Astrophysics 585, A6, 2016 | 117 | 2016 |
| From CO2 to Methanol by Hybrid QM/MM Embedding SA French, AA Sokol, ST Bromley, CRA Catlow, SC Rogers, F King, ... Angewandte Chemie International Edition 40 (23), 4437-4440, 2001 | 117 | 2001 |
| Preparation and characterisation of a highly active bimetallic (Pd–Ru) nanoparticle heterogeneous catalyst DS Shephard, BFG Johnson, JM Thomas Chemical Communications, 1571-1572, 1999 | 112 | 1999 |
| Dedicated Global Optimization Search for Ground State Silica Nanoclusters: (SiO2)N (N = 6−12) E Flikkema, ST Bromley The Journal of Physical Chemistry B 108 (28), 9638-9645, 2004 | 110 | 2004 |
| Fully Coordinated Silica Nanoclusters:(S i O 2) N Molecular Rings ST Bromley, MA Zwijnenburg, T Maschmeyer Physical review letters 90 (3), 035502, 2003 | 109 | 2003 |
| Identification and characterization of active sites and their catalytic processes—the Cu/ZnO methanol catalyst SA French, AA Sokol, ST Bromley, CRA Catlow, P Sherwood Topics in Catalysis 24 (1-4), 161-172, 2003 | 105 | 2003 |
| Hybrid QM/MM embedding approach for the treatment of localized surface states in ionic materials AA Sokol, ST Bromley, SA French, CRA Catlow, P Sherwood International journal of quantum chemistry 99 (5), 695-712, 2004 | 102 | 2004 |
| Approaching nanoscale oxides: models and theoretical methods ST Bromley, I de PR Moreira, KM Neyman, F Illas Chemical Society Reviews 38 (9), 2657-2670, 2009 | 100 | 2009 |
| Understanding ceria nanoparticles from first-principles calculations C Loschen, ST Bromley, KM Neyman, F Illas The Journal of Physical Chemistry C 111 (28), 10142-10145, 2007 | 99 | 2007 |
