Kristof De Wispelaere

Gent, VLG 9052, Belgium

Last Updated: 09/26/2026

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Found 12 publications

Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5.

Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5.

Journal: ACS physical chemistry Au

Published: March 01, 2023

Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations.

Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations.

Journal: ACS catalysis

Published: March 30, 2020

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

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

Journal: Nature materials

Published: September 27, 2019

Ethene Dimerization on Zeolite-Hosted Ni Ions: Reversible Mobilization of the Active Site.

Ethene Dimerization on Zeolite-Hosted Ni Ions: Reversible Mobilization of the Active Site.

Journal: ACS catalysis

Published: February 18, 2019

Publisher Correction: Structure-performance descriptors and the role of Lewis acidity in the methanol-to-propylene process.

Publisher Correction: Structure-performance descriptors and the role of Lewis acidity in the methanol-to-propylene process.

Journal: Nature chemistry

Published: July 12, 2018

How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5.

How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5.

Journal: ACS catalysis

Published: May 07, 2018

On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework.

On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework.

Journal: Chemical science

Published: November 17, 2017

Structure-performance descriptors and the role of Lewis acidity in the methanol-to-propylene process.

Structure-performance descriptors and the role of Lewis acidity in the methanol-to-propylene process.

Journal: Nature chemistry

Published: September 07, 2017

Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.

Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: February 05, 2015

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study.

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study.

Journal: Chemical Society reviews

Published: July 24, 2014

Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations.

Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: May 22, 2013

Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment.

Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry

Published: December 09, 2012

Showing 1-12 of 12

Last Updated: 09/26/2026