Stefan T. Bromley
Stefan T. Bromley
ICREA Research Professor
Verified email at ub.edu - Homepage
TitleCited byYear
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
7502003
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
2752004
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
1822004
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
1782010
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
1562005
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
1462010
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
1452010
Point defects in ZnO
AA Sokol, SA French, ST Bromley, CRA Catlow, HJJ van Dam, ...
Faraday discussions 134, 267-282, 2007
1332007
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
1172008
A new interatomic potential for nanoscale silica
E Flikkema, ST Bromley
Chemical Physics Letters 378 (5-6), 622-629, 2003
1172003
Ultralow-density nanocage-based metal-oxide polymorphs
J Carrasco, F Illas, ST Bromley
Physical review letters 99 (23), 235502, 2007
1132007
Fully Coordinated Silica Nanoclusters:(S i O 2) N Molecular Rings
ST Bromley, MA Zwijnenburg, T Maschmeyer
Physical review letters 90 (3), 035502, 2003
1092003
Preparation and characterisation of a highly active bimetallic (Pd–Ru) nanoparticle heterogeneous catalyst
DS Shephard, BFG Johnson, JM Thomas
Chemical Communications, 1571-1572, 1999
1081999
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
1072001
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
1042004
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
972004
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
952003
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
912009
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
902007
Formation of superoxide anions on ceria nanoparticles by interaction of molecular oxygen with Ce3+ sites
G Preda, A Migani, KM Neyman, ST Bromley, F Illas, G Pacchioni
The Journal of Physical Chemistry C 115 (13), 5817-5822, 2011
802011
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