Carine Michel - Dissemin

Papers authored by Carine Michel

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2024 Mohammed Bin Jassar

, Carine Michel

, Sara Abada

, Theodorus De Bruin

, Sylvain Tant, Carlos Nieto‐Draghi

, Stephan N. Steinmann

A Perspective on the Molecular Modeling of Electrolyte Decomposition Reactions for Solid Electrolyte Interphase Growth in Lithium‐Ion Batteries

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Mohammed Bin Jassar

, Carine Michel

, Sara Abada, Theodorus De Bruin

, Sylvain Tant, Carlos Nieto-Draghi

, Stephan N. Steinmann

Lessons Learned from Semiempirical Methods for the Li-Ion Battery Solid Electrolyte Interphase

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2023 Xiaojing Wu

, Stephan N. Steinmann

, Carine Michel

Gaussian attractive potential for carboxylate/cobalt surface interactions

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Mohammed Bin Jassar

, Carine Michel

, Sara Abada, Theodorus De Bruin

, Sylvain Tant, Carlos Nieto-Draghi

, Stephan N. Steinmann

A Joint DFT-kMC Study To Model Ethylene Carbonate Decomposition Reactions: SEI Formation, Growth, and Capacity Loss during Calendar Aging of Li-Metal Batteries

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Muhammad Akif Ramzan

, Raphaël Wischert, Stephan N. Steinmann

, Carine Michel

Toward a Realistic Surface State of Ru in Aqueous and Gaseous Environments

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2022 Paul Clabaut, Matthieu Beisert, Carine Michel

, Stephan N. Steinmann

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

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Stephan N. Steinmann

, Carine Michel

How to Gain Atomistic Insights on Reactions at the Water/Solid Interface?

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Jérôme Rey, Paul Clabaut, Romain Réocreux

, Stephan N. Steinmann

, Carine Michel

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

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2021 Jérôme Rey, Sarah Blanck

, Paul Clabaut

, Sophie Loehlé, Stephan N. Steinmann

, Carine Michel

Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces

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Carles Martí

, Sarah Blanck

, Ruben Staub, Sophie Loehlé, Carine Michel

, Stephan N. Steinmann

DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces

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Kamila Kaźmierczak, Paul Clabaut

, Ruben Staub, Noémie Perret

, Stephan N. Steinmann

, Carine Michel

Designing Active Sites for Structure-Sensitive Reactions via the Generalized Coordination Number: Application to Alcohol Dehydrogenation

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Sarah Blanck

, Carles Martí

, Sophie Loehlé

, Stephan N. Steinmann

, Carine Michel

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This paper is made freely available by the publisher.

Christian O. Blanco, Joshua Sims, Daniel L. Nascimento

, Alexandre Y. Goudreault

, Stephan N. Steinmann

, Carine Michel

, Deryn E. Fogg

The Impact of Water on Ru-Catalyzed Olefin Metathesis: Potent Deactivating Effects Even at Low Water Concentrations

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2020 Paul Clabaut

, Benjamin Schweitzer, Andreas W. Götz

, Carine Michel

, Stephan N. Steinmann

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

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Christopher Panaritis

, Yasmine M. Hajar, Laureline Treps, Carine Michel

, Elena A. Baranova

, Stephan N. Steinmann

Demystifying the Atomistic Origin of the Electric Field Effect on Methane Oxidation

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Paul Clabaut

, Paul Fleurat-Lessard

, Carine Michel

, Stephan N. Steinmann

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

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Alexandre Y. Goudreault

, Daniel M. Walden, Daniel L. Nascimento

, Adrian G. Botti, Stephan N. Steinmann

, Carine Michel

, Deryn E. Fogg

Hydroxide-Induced Degradation of Olefin Metathesis Catalysts: A Challenge for Metathesis in Alkaline Media

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Antton Curutchet, Pauline Colinet, Carine Michel

, Stephan N. Steinmann

, Tangui Le Bahers

Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

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2019 Romain Réocreux

, Carine Michel

, Paul Fleurat-Lessard

, Philippe Sautet

, Stephan N. Steinmann

Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface

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Yasmine M. Hajar

, Laureline Treps, Carine Michel

, Elena A. Baranova

, Stephan N. Steinmann

Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide

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Papers authored by Carine Michel