Academic Bibliography

Search 200 years of publications by Ghent University researchers.

dr. Massimo Bocus

Faculty of Engineering and Architecture > Department of Applied physics

ORCID iD: 0000-0001-9474-6644

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- Journal Article
- A1
- open access
The operando nature of isobutene adsorbed in Zeolite H‐SSZ‐13 unraveled by machine learning potentials beyond DFT accuracy

Massimo Bocus (UGent) , Sander Vandenhaute (UGent) and Veronique Van Speybroeck (UGent)

(2024) ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.
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- Book Chapter
Dynamic evolution of catalytic active sites within zeolite catalysis

Massimo Bocus (UGent) , Samuel Neale (UGent) , Pieter Cnudde and Veronique Van Speybroeck (UGent)

(2023) Comprehensive inorganic chemistry III. p.165-200
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- Journal Article
- A1
- open access
Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

Veronique Van Speybroeck (UGent) , Massimo Bocus (UGent) , Pieter Cnudde (UGent) and Louis Vanduyfhuys (UGent)

(2023) ACS CATALYSIS. 13(17). p.11455-11493
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- PhD Thesis
Towards state-of-the-art molecular simulations for an accurate modeling of intricate zeolite-catalyzed reactions

Massimo Bocus (UGent)

(2023)
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- Journal Article
- A1
- open access
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

Massimo Bocus (UGent) , Ruben Goeminne (UGent) , Aran Lamaire (UGent) , Maarten Cools-Ceuppens (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) NATURE COMMUNICATIONS. 14(1).
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- Journal Article
- A1
- open access
Quantum free energy profiles for molecular proton transfers

Aran Lamaire (UGent) , Maarten Cools-Ceuppens (UGent) , Massimo Bocus (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 19(1). p.18-24
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- Journal Article
- A1
- open access
Insights into the mechanism and reactivity of zeolite-catalyzed alkylphenol dealkylation

Massimo Bocus (UGent) and Veronique Van Speybroeck (UGent)

(2022) ACS CATALYSIS. 12(22). p.14227-14242
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- Journal Article
- A2
- open access
Mechanistic characterization of zeolite-catalyzed aromatic electrophilic substitution at realistic operating conditions

Massimo Bocus (UGent) , Louis Vanduyfhuys (UGent) , Frank De Proft, Bert M. Weckhuysen and Veronique Van Speybroeck (UGent)

(2022) JACS AU. 2(2). p.502-514
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- Journal Article
- A1
- open access
Shape-selective C–H activation of aromatics to biarylic compounds using molecular palladium in zeolites

Jannick Vercammen, Massimo Bocus (UGent) , Samuel Neale (UGent) , Aram Bugaev, Patrick Tomkins, Julianna Hajek (UGent) , Sam Van Minnebruggen, Alexander Soldatov, Andraž Krajnc, Gregor Mali, et al.

(2020) NATURE CATALYSIS. 3(12). p.1002-1009
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- Journal Article
- A1
- open access
Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts

I. Lezcano-Gonzalez, E. Campbell, Alexander Hoffman (UGent) , Massimo Bocus (UGent) , I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, Kristof De Wispelaere (UGent) , et al.

(2020) NATURE MATERIALS. 19(10). p.1081-1087