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Unraveling the Reaction Mechanisms Governing Methanol‐to‐Olefins Catalysis by Theory and Experiment |
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| Authors: | Prof. Dr. Karen Hemelsoet Jeroen Van der Mynsbrugge Kristof De Wispelaere Prof. Dr. Michel Waroquier Prof. Dr. Veronique Van Speybroeck |
| Affiliation: | 1. Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, B‐9052 Zwijnaarde (Belgium);2. QCMM‐alliance, Ghent‐Brussels (Belgium) |
| Abstract: | |
| Keywords: | ab initio calculations chemical kinetics heterogeneous catalysis methanol‐to‐olefins process reaction mechanisms |