Massimo Bocus

Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts

Inés Lezcano‐González, Emma Campbell, Alexander E. J. Hoffman et al. · Nature Materials · 2020 · 90 citations · Full text

Chemical Engineering, Engineering, Methanol +8

Shape-selective C–H activation of aromatics to biarylic compounds using molecular palladium in zeolites

Jannick Vercammen, Massimo Bocus, Samuel E. Neale et al. · Nature Catalysis · 2020 · 70 citations · Full text

Chemical Engineering, Engineering, Organic Chemistry +6

Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

Massimo Bocus, Ruben Goeminne, Aran Lamaire et al. · Nature Communications · 2023 · 60 citations · Full text

Engineering, Nuclear Physics, Proton-coupled Electron Transfer +23

Mechanistic Characterization of Zeolite-Catalyzed Aromatic Electrophilic Substitution at Realistic Operating Conditions

Massimo Bocus, Louis Vanduyfhuys, Frank De Proft et al. · JACS Au · 2022 · 33 citations · Full text

Engineering, Organometallic Electrochemistry, Benzene Ethylation +19

Decoding Collagen Triple Helix Stability by Means of Hybrid DFT Simulations

Michele Cutini, Massimo Bocus, Piero Ugliengo · The Journal of Physical Chemistry B · 2019 · 18 citations · Full text

Tissue Engineering, Biophysical Modeling, Engineering +20