Michael Groves
Michael Groves
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The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
Improving platinum catalyst binding energy to graphene through nitrogen doping
MN Groves, ASW Chan, C Malardier-Jugroot, M Jugroot
Chemical Physics Letters 481 (4-6), 214-219, 2009
Improving platinum catalyst durability with a doped graphene support
MN Groves, C Malardier-Jugroot, M Jugroot
The Journal of Physical Chemistry C 116 (19), 10548-10556, 2012
An automated nudged elastic band method
EL Kolsbjerg, MN Groves, B Hammer
The Journal of Chemical Physics 145, 094107, 2016
Symmetry-driven band gap engineering in hydrogen functionalized graphene
JH Jørgensen, AG Cabo, R Balog, L Kyhl, MN Groves, AM Cassidy, ...
ACS nano 10 (12), 10798-10807, 2016
Combining evolutionary algorithms with clustering toward rational global structure optimization at the atomic scale
MS Jørgensen, MN Groves, B Hammer
Journal of Chemical Theory and Computation 13 (3), 1486-1493, 2017
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Hermes, PC Jennings, PB Jensen, J. Kermode, JR Kitchin, EL Kolsbjerg, J …, 2017
Carboxyl group enhanced CO tolerant GO supported Pt catalysts: DFT and electrochemical analysis
S Sharma, MN Groves, J Fennell, N Soin, SL Horswell, ...
Chemistry of Materials 26 (21), 6142-6151, 2014
Remote Activation of Chemical Bonds in Heterogeneous Catalysis
AMH Rasmussen, MN Groves, B Hammer
ACS Catalysis 4 (4), 1182-1188, 2014
Structure determination of chemisorbed chirality transfer complexes: Accelerated STM analysis and exchange-correlation functional sensitivity
MN Groves, G Goubert, AMH Rasmussen, Y Dong, JC Lemay, ...
Surface science 629, 48-56, 2014
Exciting H2 Molecules for Graphene Functionalization
L Kyhl, R Bisson, R Balog, MN Groves, EL Kolsbjerg, AM Cassidy, ...
ACS nano 12 (1), 513-520, 2017
Monitoring interconversion between stereochemical states in single chirality-transfer complexes on a platinum surface
G Goubert, Y Dong, MN Groves, JC Lemay, B Hammer, PH McBreen
Nature Chemistry 9 (6), 531-536, 2017
Measuring the effectiveness of online preparation videos and questions in the second semester general chemistry laboratory
S Altowaiji, R Haddadin, P Campos, S Sorn, L Gonzalez, SM Villafañe, ...
Chemistry Education Research and Practice 22 (3), 616-625, 2021
Structure and dynamics of individual diastereomeric complexes on platinum: surface studies related to heterogeneous enantioselective catalysis
Y Dong, G Goubert, MN Groves, JC Lemay, B Hammer, PH McBreen
Accounts of Chemical Research 50 (5), 1163-1170, 2017
Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt (111)
G Goubert, AMH Rasmussen, Y Dong, MN Groves, PH McBreen, ...
Surface science 629, 123-131, 2014
Self-assembly of alternating copolymers and the role of hydrophobic interactions: characterisation by molecular modelling
ASW Chan, M Groves, C Malardier-Jugroot
Molecular Simulation 37 (8), 701-709, 2011
Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl) ethylamine and ketopantolactone on Pt (111)
K Svane, Y Dong, MN Groves, V Demers-Carpentier, JC Lemay, ...
Catalysis Science & Technology 5 (2), 743-753, 2015
Pyridine adsorption and diffusion on Pt (111) investigated with density functional theory
EL Kolsbjerg, MN Groves, B Hammer
The Journal of Chemical Physics 144 (16), 2016
Depth profiling of polymer films with grazing-incidence small-angle X-ray scattering
MA Singh, MN Groves
Acta Crystallographica Section A: Foundations of Crystallography 65 (3), 190-201, 2009
Synthesis of pristine graphene-like behaving rGO thin film: Insights into what really matters
M Sedki, PS Mirabedini, K Nakama, G Stephens, M Groves, I Lee, ...
Carbon 186, 437-451, 2022
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