Kristof De Wispelaere
机构: Innovation Manager, BASF
每年引用次数
引用次数
引用: 2,933
H-指数: 28
I10-指数 : 29
出版物: 69
Insight into the Formation and Reactivity of Framework‐Bound Methoxide Species in H‐ZSM‐5 from Static and Dynamic Molecular Simulations
Jeroen Van der Mynsbrugge , Samuel L. C. Moors , Kristof De Wispelaere , Veronique Van Speybroeck
Chemcatchem 6 ( 7) 1906 -1918
45
2014
Mechanistic Studies on Chabazite‐Type Methanol‐to‐Olefin Catalysts: Insights from Time‐Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations
Veronique Van Speybroeck , Karen Hemelsoet , Kristof De Wispelaere , Qingyun Qian
Chemcatchem 5 ( 1) 173 -184
53
2013
Inside Back Cover: Mechanistic Studies on Chabazite‐Type Methanol‐to‐Olefin Catalysts: Insights from Time‐Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations (ChemCatChem 1/2013)
Veronique Van Speybroeck , Karen Hemelsoet , Kristof De Wispelaere , Qingyun Qian
Chemcatchem 5 ( 1) 355 -355
1
2013
Identification of Intermediates in Zeolite‐Catalyzed Reactions by In Situ UV/Vis Microspectroscopy and a Complementary Set of Molecular Simulations
Karen Hemelsoet , Qingyun Qian , Thierry De Meyer , Kristof De Wispelaere
Chemistry: A European Journal 19 ( 49) 16595 -16606
45
2013
Inside Back Cover: Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics (Chem. Eur. J. 26/2015)
Kristof De Wispelaere , Bernd Ensing , An Ghysels , Evert Jan Meijer
Chemistry: A European Journal 21 ( 26) 9571 -9571
2015
Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.
Kristof De Wispelaere , Bernd Ensing , An Ghysels , Evert Jan Meijer
Chemistry: A European Journal 21 ( 26) 9385 -9396
54
2015
Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts.
I. Lezcano-Gonzalez , E. Campbell , A. E. J. Hoffman , M. Bocus
Nature Materials 19 ( 10) 1081 -1087
35
2020
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
28
2016
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
34
2017
Exploring new frontiers in modeling complex zeolite-catalyzed reactions using advanced molecular dynamics techniques
Kristof De Wispelaere , An Ghysels , EJ Meijer , Veronique Van Speybroeck
NAM34
2015
Computation of chemical kinetics: olefin producing reaction routes during methanol conversion as a case study
Kristof De Wispelaere , Michel Waroquier , Karen Hemelsoet , Veronique Van Speybroeck
Theory and Applications of Computational Chemistry 2012 (TACC-2012)
2012
Selective catalytic reduction of NOx by ammonia: adsorption of NO on Cu-SSZ-13 using Ab initio simulations
Kristof De Wispelaere , Jeroen Van der Mynsbrugge , I Lezcano-Gonzalez , Karen Hemelsoet
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
2014
First-principle kinetic study of butene cracking on H-ZSM-5
Kristof De Wispelaere , Jeroen Van der Mynsbrugge , Karen Hemelsoet , Veronique Van Speybroeck
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
2014
Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
Kristof De Wispelaere , Jeroen Van der Mynsbrugge , Samuel Moors , S Svelle
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
2014
Unraveling the reaction mechanism of methanol conversion : the synergy between extended cluster models and molecular dynamics
Kristof De Wispelaere , Jeroen Van der Mynsbrugge , Samuel Moors , Michel Waroquier
North American Catalysis Society, 23rd Meeting, Abstracts 10 -10
2013
UV/Vis spectra of carbonaceous methanol-to-olefins intermediates using TD-DFT combined with molecular dynamics
Andy Van Yperen-De Deyne , Kristof De Wispelaere , Michel Waroquier , Bert M Weckhuysen
Time-Dependent - Density-Functional Theory conference, Abstracts
2013
Identification of carbonaceous compounds in H-SAPO-34: a combined TDDFT and in-situ spectroscopy study
Kristof De Wispelaere , Michel Waroquier , Q Qian , Karen Hemelsoet
14th International Conference on Theoretical Aspects of Catalysis, Book of abstracts 44 -45
2012
Ab initio study on the active olefin producing reaction cycles during methanol conversion in H-SAPO-34
Kristof De Wispelaere , Michel Waroquier , Karen Hemelsoet , Veronique Van Speybroeck
14th International Conference on Theoretical Aspects of Catalysis, Book of abstracts 153 -154
2012
A theoretical and experimental spectroscopy study on methanol and ethanol conversion over H-SAPO-34
Kristof De Wispelaere , Michel Waroquier , An Ghysels , Davide Mores
5th International FEZA Conference (FEZA 2011) 623 -624
2011
Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process
Bart De Sterck , Kristof De Wispelaere , Jeroen Van der Mynsbrugge , Michel Waroquier
12th Netherlands Catalysis and Chemistry Conference (NCCC-XII) 278 -278
2011