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Methanol Carbonylation over Acid Mordenite: Insights from Ab Initio Molecular Dynamics and Machine Learning Thermodynamic Perturbation Theory

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https://hal.univ-lorraine.fr/hal-03603346
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Wednesday, March 9, 2022 - 6:16:58 PM
Last modification on : Friday, April 1, 2022 - 3:55:00 AM

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Monika Gešvandtnerová, Dario Rocca, Tomáš Bučko. Methanol Carbonylation over Acid Mordenite: Insights from Ab Initio Molecular Dynamics and Machine Learning Thermodynamic Perturbation Theory. Journal of Catalysis, 2021, 396, pp.166--178. ⟨10.1016/j.jcat.2021.02.011⟩. ⟨hal-03603346⟩

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