Jérôme Rey

On the origin of the difference between type A and type B skeletal isomerization of alkenes catalyzed by zeolites: The crucial input of ab initio molecular dynamics

Jérôme Rey, Axel Gomez, Pascal Raybaud et al. · Journal of Catalysis · 2019 · 54 citations · Full text

Novel Organocatalysts, Engineering, Alkene Metathesis +9

Competition of Secondary versus Tertiary Carbenium Routes for the Type B Isomerization of Alkenes over Acid Zeolites Quantified by Ab Initio Molecular Dynamics Simulations

Jérôme Rey, Pascal Raybaud, Céline Chizallet et al. · ACS Catalysis · 2019 · 44 citations · Full text

Engineering, Chemical Transformation, Organic Chemistry +16

Ab Initio Simulation of the Acid Sites at the External Surface of Zeolite Beta

Jérôme Rey, Pascal Raybaud, Céline Chizallet · ChemCatChem · 2017 · 40 citations

Acid Sites, Engineering, Computational Chemistry +17

Dynamic Features of Transition States for β‐Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD Simulations

Jérôme Rey, Charles Bignaud, Pascal Raybaud et al. · Angewandte Chemie International Edition · 2020 · 38 citations · Full text

Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of <i>n</i>-Heptane Hydroconversion in a Large-Pore Zeolite

Jean‐Marc Schweitzer, Jérôme Rey, Charles Bignaud et al. · ACS Catalysis · 2022 · 32 citations · Full text

Engineering, Topical Challenge, Computational Chemistry +17