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Clabaut, Paul
45  Ergebnisse:
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1

Beyond single-crystal surfaces: The GAL21 water/metal force..:

Clabaut, Paul ; Beisert, Matthieu ; Michel, Carine.
The Journal of Chemical Physics.  157 (2022)  19 - p. , 2022
Link: https://doi.org/10.1063/..
 
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2

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jérôme ; Clabaut, Paul ; Réocreux, Romain..
The Journal of Physical Chemistry C.  126 (2022)  17 - p. 7446-7455 , 2022
Link: https://doi.org/10.1021/..
 
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3

Transferable Gaussian Attractive Potentials for Organic/Oxi..:

Rey, Jérôme ; Blanck, Sarah ; Clabaut, Paul...
The Journal of Physical Chemistry B.  125 (2021)  38 - p. 10843-10853 , 2021
Link: https://doi.org/10.1021/..
 
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4

Designing Active Sites for Structure-Sensitive Reactions vi..:

Kaźmierczak, Kamila ; Clabaut, Paul ; Staub, Ruben...
The Journal of Physical Chemistry C.  125 (2021)  19 - p. 10370-10377 , 2021
Link: https://doi.org/10.1021/..
 
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5

Solvation Free Energies and Adsorption Energies at the Meta..:

Clabaut, Paul ; Schweitzer, Benjamin ; Götz, Andreas W...
Journal of Chemical Theory and Computation.  16 (2020)  10 - p. 6539-6549 , 2020
Link: https://doi.org/10.1021/..
 
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6

Ten Facets, One Force Field: The GAL19 Force Field for Wate..:

Clabaut, Paul ; Fleurat-Lessard, Paul ; Michel, Carine.
Journal of Chemical Theory and Computation.  16 (2020)  7 - p. 4565-4578 , 2020
Link: https://doi.org/10.1021/..
 
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7

Water adlayers on noble metal surfaces: Insights from energ..:

Clabaut, Paul ; Staub, Ruben ; Galiana, Joachim..
The Journal of Chemical Physics.  153 (2020)  5 - p. , 2020
Link: https://doi.org/10.1063/..
 
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8

Beyond single-crystal surfaces: The GAL21 water/metal force..:

Clabaut, Paul ; Beisert, Matthieu ; Michel, Carine.
info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0130368.  , 2022
Link: https://hal.science/hal-..
 
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9

Beyond single-crystal surfaces: The GAL21 water/metal force..:

Clabaut, Paul ; Beisert, Matthieu ; Michel, Carine.
info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0130368.  , 2022
Link: https://hal.science/hal-..
 
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10

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jérôme ; Clabaut, Paul ; Réocreux, Romain..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.2c00998.  , 2022
Link: https://hal.science/hal-..
 
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11

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jérôme ; Clabaut, Paul ; Réocreux, Romain..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.2c00998.  , 2022
Link: https://hal.science/hal-..
 
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12

Beyond single-crystal surfaces: The GAL21 water/metal force..:

Clabaut, Paul ; Beisert, Matthieu ; Michel, Carine.
info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0130368.  , 2022
Link: https://hal.science/hal-..
 
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13

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jérôme ; Clabaut, Paul ; Réocreux, Romain..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.2c00998.  , 2022
Link: https://hal.science/hal-..
 
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14

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jerome ; Clabaut, Paul ; Reocreux, Romain..
https://discovery.ucl.ac.uk/id/eprint/10153555/1/Desorption_ethanol_main.pdf.  , 2022
Link: https://discovery.ucl.ac..
 
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15

Mechanistic Investigation and Free Energies of the Reactive..:

Rey, Jérôme ; Clabaut, Paul ; Réocreux, Romain..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.2c00998.  , 2022
Link: https://hal.science/hal-..
 
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