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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine

Bo-Hong Luo1, Si-Yang Zhao1, Yong-Li Pu1

  • 1College of Chemistry and Chemical Engineering, Guangxi University, No. 100, Daxue East Road, Nanning 530004, Guangxi, China. zhanghx@gxu.edu.cn.

Dalton Transactions (Cambridge, England : 2003)
|October 3, 2022
PubMed

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