Stefan T. Bromley
Stefan T. Bromley
ICREA Research Professor
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Zitiert von
Zitiert von
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
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
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
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
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
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
Point defects in ZnO
AA Sokol, SA French, ST Bromley, CRA Catlow, HJJ van Dam, ...
Faraday discussions 134, 267-282, 2007
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
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), 2005
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
From CO2 to Methanol by Hybrid QM/MM Embedding
SA French, AA Sokol, ST Bromley, CR Catlow, SC Rogers, K F, S P
Angew. Chem. 113, 4569, 2001
Ultralow-density nanocage-based metal-oxide polymorphs
J Carrasco, F Illas, ST Bromley
Physical review letters 99 (23), 235502, 2007
Kondo effect in a neutral and stable all organic radical single molecule break junction
R Frisenda, R Gaudenzi, C Franco, M Mas-Torrent, C Rovira, J Veciana, ...
Nano letters 15 (5), 3109-3114, 2015
A new interatomic potential for nanoscale silica
E Flikkema, ST Bromley
Chemical physics letters 378 (5-6), 622-629, 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
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
Preparation and characterisation of a highly active bimetallic (Pd–Ru) nanoparticle heterogeneous catalyst
JMT Robert Raja, Sophie Hermans, Douglas S. Shephard, Brian F. G. Johnson ...
Chemical Communications, 1571-1572, 1999
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, 161-172, 2003
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
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
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