What is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab-initio Molecular Dynamics Study
Ishikawa, Atsushi, Tateyama, YoshitakaJournal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.9b09959
Date:
February, 2020
File:
PDF, 3.20 MB
2020