| 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 | 299 | 2013 |
| 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 | 238 | 2014 |
| 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 | 197 | 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 | 156 | 2012 |
| 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 | 155 | 2011 |
| 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 | 107 | 2017 |
| 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 | 99 | 2013 |
| 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 | 99 | 2010 |
| 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 | 97 | 2018 |
| 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 | 95 | 2012 |
| 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 | 91 | 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 | 83 | 2014 |
| 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 | 72 | 2018 |
| 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 | 69 | 2013 |
| 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 | 63 | 2016 |
| 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 | 50 | 2018 |
| 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 | 48 | 2017 |
| Facing the challenges of borderline oxidation state assignments using state-of-the-art computational methods M Gimferrer, J Van der Mynsbrugge, AT Bell, P Salvador, M Head-Gordon Inorganic chemistry 59 (20), 15410-15420, 2020 | 34 | 2020 |
| 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 | 28 | 2018 |
| Computational modeling predicts the stability of both Pd+ and Pd 2+ ion-exchanged into H-CHA J Van der Mynsbrugge, M Head-Gordon, AT Bell Journal of Materials Chemistry A 9 (4), 2161-2174, 2021 | 24 | 2021 |
Alexis T. BELLUniversity of CaliforniaVerified email at berkeley.edu
