Paul Clabaut

Paul Clabaut

École Normale Supérieure de Lyon - Lyon / France
Others
AD Scientific Index ID: 6020463
Normal Superior School of Lyon
person_outline Paul Clabaut's MOST POPULAR ARTICLES
1-) Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in waterR Réocreux, É Girel, P Clabaut, A Tuel, M Besson, A Chaumonnot, ...Nature communications 10 (1), 3139, 2019572019
2-) Solvation free energies and adsorption energies at the metal/water interface from hybrid quantum-mechanical/molecular mechanics simulationsP Clabaut, B Schweitzer, AW Gotz, C Michel, SN SteinmannJournal of Chemical Theory and Computation 16 (10), 6539-6549, 2020422020
3-) Ten facets, one force field: The GAL19 force field for water–noble metal interfacesP Clabaut, P Fleurat-Lessard, C Michel, SN SteinmannJournal of Chemical Theory and Computation 16 (7), 4565-4578, 2020332020
4-) Water adlayers on noble metal surfaces: Insights from energy decomposition analysisP Clabaut, R Staub, J Galiana, E Antonetti, SN SteinmannThe Journal of Chemical Physics 153 (5), 2020152020
5-) Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interfaceJ Rey, P Clabaut, R Réocreux, SN Steinmann, C MichelThe Journal of Physical Chemistry C 126 (17), 7446-7455, 2022112022