Jeroen Van der Mynsbrugge
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Unraveling the reaction mechanisms governing methanol‐to‐olefins catalysis by theory and experiment
K Hemelsoet, J Van der Mynsbrugge, K De Wispelaere, M Waroquier, ...
ChemPhysChem 14 (8), 1526-1545, 2013
First principle kinetic studies of zeolite-catalyzed methylation reactions
V Van Speybroeck, J Van der Mynsbrugge, M Vandichel, K Hemelsoet, ...
Journal of the American Chemical Society 133 (4), 888-899, 2011
First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
V Van Speybroeck, K De Wispelaere, J Van der Mynsbrugge, ...
Chemical Society Reviews 43 (21), 7326-7357, 2014
Full theoretical cycle for both ethene and propene formation during methanol‐to‐olefin conversion in H‐ZSM‐5
D Lesthaeghe, J Van der Mynsbrugge, M Vandichel, M Waroquier, ...
ChemCatChem 3 (1), 208-212, 2011
Methylation of benzene by methanol: Single-site kinetics over H-ZSM-5 and H-beta zeolite catalysts
J Van der Mynsbrugge, M Visur, U Olsbye, P Beato, M Bjørgen, ...
Journal of catalysis 292, 201-212, 2012
Efficient approach for the computational study of alcohol and nitrile adsorption in H-ZSM-5
J Van der Mynsbrugge, K Hemelsoet, M Vandichel, M Waroquier, ...
The Journal of Physical Chemistry C 116 (9), 5499-5508, 2012
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
M Vandichel, D Lesthaeghe, J Van der Mynsbrugge, M Waroquier, ...
Journal of Catalysis 271 (1), 67-78, 2010
Molecular dynamics kinetic study on the zeolite-catalyzed benzene methylation in ZSM-5
SLC Moors, K De Wispelaere, J Van der Mynsbrugge, M Waroquier, ...
Acs Catalysis 3 (11), 2556-2567, 2013
Mechanistic Studies on Chabazite‐Type Methanol‐to‐Olefin Catalysts: Insights from Time‐Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations
V Van Speybroeck, K Hemelsoet, K De Wispelaere, Q Qian, ...
ChemCatChem 5 (1), 173-184, 2013
Enthalpy and Entropy Barriers Explain the Effects of Topology on the Kinetics of Zeolite‐Catalyzed Reactions
J Van der Mynsbrugge, J De Ridder, K Hemelsoet, M Waroquier, ...
Chemistry–A European Journal 19 (35), 11568-11576, 2013
Insight into the Formation and Reactivity of Framework‐Bound Methoxide Species in H‐ZSM‐5 from Static and Dynamic Molecular Simulations
J Van der Mynsbrugge, SLC Moors, K De Wispelaere, V Van Speybroeck
ChemCatChem 6 (7), 1906-1918, 2014
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
P Cnudde, K De Wispelaere, J Van der Mynsbrugge, M Waroquier, ...
Journal of Catalysis 345, 53-69, 2017
On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 at 323 K
J Hajek, J Van der Mynsbrugge, K De Wispelaere, P Cnudde, ...
Journal of Catalysis 340, 227-235, 2016
Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Brønsted Acidic Zeolites
J Van der Mynsbrugge, A Janda, S Mallikarjun Sharada, LC Lin, ...
ACS Catalysis 7 (4), 2685-2697, 2017
Characterization of Isolated Ga3+ Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl3
NM Phadke, J Van der Mynsbrugge, E Mansoor, AB Getsoian, ...
ACS Catalysis 8 (7), 6106-6126, 2018
Impact of long-range electrostatic and dispersive interactions on theoretical predictions of adsorption and catalysis in zeolites
E Mansoor, J Van der Mynsbrugge, M Head-Gordon, AT Bell
Catalysis Today 312, 51-65, 2018
How chain length and branching influence the alkene cracking reactivity on H-ZSM-5
P Cnudde, K De Wispelaere, L Vanduyfhuys, R Demuynck, ...
ACS catalysis 8 (10), 9579-9595, 2018
Understanding Brønsted‐Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
J Van der Mynsbrugge, A Janda, LC Lin, V Van Speybroeck, ...
ChemPhysChem 19 (4), 341-358, 2018
Frontiers in Modeling Metal–Organic Frameworks
B Civalleri, G Maurin, V Van Speybroeck
Advanced Theory and Simulations 2 (11), 1900196, 2019
Theoretical tool box for a better catalytic understanding
M Waroquier, K De Wispelaere, J Hajek, S Rogge, J Van Der Mynsbrugge, ...
Nanotechnology in Catalysis: Applications in the Chemical Industry, Energy …, 2017
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