المؤلفون: Bailleul, Simon, Dedecker, Karen, Cnudde, Pieter, Vanduyfhuys, Louis, Waroquier, Michel, Van Speybroeck, Veronique

المصدر: JOURNAL OF CATALYSIS ; ISSN: 0021-9517 ; ISSN: 1090-2694

مصطلحات موضوعية: Physics and Astronomy, Chemistry, Physical and Theoretical Chemistry, Catalysis, Collective variables, DFT, Enhanced sampling, Molecular dynamics, Ethene methylation, ZSM-5, FREE-ENERGY CALCULATIONS, TO-OLEFINS CONVERSION, MOLECULAR-DYNAMICS, REACTION-MECHANISM, HYDROCARBON FORMATION, CHEMICAL ACCURACY, ZEOLITE H-ZSM-5, RATE CONSTANTS, FORCE-FIELD, CO-REACTION

وصف الملف: application/pdf

Relation: https://biblio.ugent.be/publication/8669713; http://hdl.handle.net/1854/LU-8669713; http://dx.doi.org/10.1016/j.jcat.2020.04.015; https://biblio.ugent.be/publication/8669713/file/8669714

الاتاحة: https://biblio.ugent.be/publication/8669713
http://hdl.handle.net/1854/LU-8669713
https://doi.org/10.1016/j.jcat.2020.04.015
https://biblio.ugent.be/publication/8669713/file/8669714