DFT MD Simulations Decode the Role of Explicit Solvation in Spin-Dependent O–O Bond Formation for a High-Valent Mn4 Catalyst

Journal:
Inorganic Chemistry
Published:
DOI:
10.1021/acs.inorgchem.5c04373
Affiliations:
2
Authors:
9
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Institutions Authors Share
Zhengzhou Normal University, China
8.000000
 0.89
MOE Key Laboratory of Material Chemistry for Energy Conversion and Storage, HUST, China
1.000000
 0.11
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