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⟩