What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study

Publication Information

Title

Japanese:	What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study
English:	What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study

Author

Japanese:	石川敦之, Yoshitaka Tateyama.
English:	Atsushi Ishikawa, Yoshitaka Tateyama.

Language

English

Journal/Book name

Japanese:	The Journal of Physical Chemistry C
English:	The Journal of Physical Chemistry C

Volume, Number, Page

Vol. 124 No. 11 pp. 6054-6062

Published date

Mar. 19, 2020

Publisher

Japanese:
English:

Conference name

Japanese:
English:

Conference site

Japanese:
English:

Official URL

DOI