Concepedia

Paul Clabaut

PC

9

Publications

291

Citations

9

H-Index

2019

Active since

Affiliations

Centre National de la Recherche Scientifique(Current)

École Normale Supérieure de Lyon

Laboratoire de Chimie

Université Claude Bernard Lyon 1

Institut de Recherches sur la Catalyse et l'Environnement de Lyon

Paul Clabaut is an author at Centre National de la Recherche Scientifique specializing in natural sciences, engineering, and computational chemistry.

ORCID

Top concepts

Publications per year

2019–2022

9

Publications

9

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

Romain Réocreux, Etienne Girel, Paul Clabaut et al. · Nature Communications · 2019 · 89 citations · Full text

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

Paul Clabaut, Benjamin Schweitzer, Andreas W. Götz et al. · Journal of Chemical Theory and Computation · 2020 · 67 citations · Full text

Ten Facets, One Force Field: The GAL19 Force Field for Water–Noble Metal Interfaces

Paul Clabaut, Paul Fleurat‐Lessard, Carine Michel et al. · Journal of Chemical Theory and Computation · 2020 · 45 citations · Full text

Water adlayers on noble metal surfaces: Insights from energy decomposition analysis

Paul Clabaut, Ruben Staub, Joachim Galiana et al. · The Journal of Chemical Physics · 2020 · 25 citations · Full text

Mechanistic Investigation and Free Energies of the Reactive Adsorption of Ethanol at the Alumina/Water Interface

Jérôme Rey, Paul Clabaut, Romain Réocreux et al. · The Journal of Physical Chemistry C · 2022 · 20 citations · Full text

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