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Researcher
Massimo Bocus
- Disciplines:Other physical sciences, Classical physics, Elementary particle and high energy physics
Affiliations
- Department of Applied physics (Department)
Member
From1 Oct 2018 → Today
Publications
1 - 6 of 6
- Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations(2023)
Authors: Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde, Louis Vanduyfhuys
Pages: 11455 - 11493 - Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics(2023)
Authors: Massimo Bocus, Ruben Goeminne, Aran Lamaire, Maarten Cools-Ceuppens, Toon Verstraelen
- Quantum free energy profiles for molecular proton transfers(2023)
Authors: Aran Lamaire, Maarten Cools-Ceuppens, Massimo Bocus, Toon Verstraelen, Veronique Van Speybroeck
Pages: 18 - 24 - Mechanistic characterization of zeolite-catalyzed aromatic electrophilic substitution at realistic operating conditions(2022)
Authors: Massimo Bocus, Louis Vanduyfhuys, Frank De Proft, Bert M. Weckhuysen, Veronique Van Speybroeck
Pages: 502 - 514 - Insights into the mechanism and reactivity of zeolite-catalyzed alkylphenol dealkylation(2022)
Authors: Massimo Bocus, Veronique Van Speybroeck
Pages: 14227 - 14242 - Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts(2020)
Authors: I. Lezcano-Gonzalez, E. Campbell, Alexander Hoffman, Massimo Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, Kristof De Wispelaere, et al.
Pages: 1081 - 1087