| 1 |
Understanding H-2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics
Kerkeni B, Bacchus-Montabonel MC, Shan X, Bromley ST
Journal of Physical Chemistry A, 123(43), 9282, 2019 |
| 2 |
Room Temperature Methane Capture and Activation by Ni Clusters Supported on TiC(001): Effects of Metal-Carbide Interactions on the Cleavage of the C-H Bond
Prats H, Gutierrez RA, Pinero JJ, Vines F, Bromley ST, Ramirez PJ, Rodriguez JA, Illas F
Journal of the American Chemical Society, 141(13), 5303, 2019 |
| 3 |
A global optimisation study of the low-lying isomers of the alumina octomer (Al2O3)(8)
Gobrecht D, Decin L, Cristallo S, Bromley ST
Chemical Physics Letters, 711, 138, 2018 |
| 4 |
Operative Mechanism of Hole-Assisted Negative Charge Motion in Ground States of Radical-Anion Molecular Wires
Franco C, Burrezo PM, Lloveras V, Caballero R, Alcon I, Bromley ST, Mas-Torrent M, Langa F, Navarrete JTL, Rovira C, Casado J, Veciana J
Journal of the American Chemical Society, 139(2), 686, 2017 |
| 5 |
Tuning Crystal Ordering, Electronic Structure, and Morphology in Organic Semiconductors: Tetrathiafulvalenes as a Model Case
Pfattner R, Bromley ST, Rovira C, Mas-Torrent M
Advanced Functional Materials, 26(14), 2256, 2016 |
| 6 |
Effect of spin ordering on structure and structural transitions in the (MnS)(6) magic cluster
Lewoczko AD, BelBruno JJ, Bromley ST
Chemical Physics Letters, 556, 207, 2013 |
| 7 |
Structure and energetics of hydroxylated silica clusters, (SiO2)(M)(H2O)(N), M=8, 16 and N=1-4: A global optimisation study
Flikkema E, Jelfs KE, Bromley ST
Chemical Physics Letters, 554, 117, 2012 |
| 8 |
Dramatic Influence of the Electronic Structure on the Conductivity through Open- and Closed-Shell Molecules
Crivillers N, Munuera C, Mas-Torrent M, Simao C, Bromley ST, Ocal C, Rovira C, Veciana J
Advanced Materials, 21(10-11), 1177, 2009 |
| 9 |
Molecular dynamics-based approach to study the anisotropic self-diffusion of molecules in porous materials with multiple cage types: Application to H-2 in losod
van den Berg AWC, Flikkema E, Lems S, Bromley ST, Jansen JC
Journal of Physical Chemistry B, 110(1), 501, 2006 |
| 10 |
Band gap variation in Prussian Blue via cation-induced structural distortion
Wojdel JC, Bromley ST
Journal of Physical Chemistry B, 110(48), 24294, 2006 |
