Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals
Author:
Affiliation:
1. Institute of Theoretical ChemistryJilin University Changchun 130023 People's Republic of China
2. Institut für ChemieTechnische Universität Berlin Straße des 17. Juni 115 10623 Berlin Germany
Funder
Deutsche Forschungsgemeinschaft
National Natural Science Foundation of China
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.201900508
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