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Updated: May 11, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Mechanistic Insight into Water Oxidation Catalysis by a Mononuclear Ruthenium Complex

Takahiko Kojima1, Tomoki Takaoka1, Yusuke Chiba1

  • 1Department of Chemistry, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan.

Inorganic Chemistry
|April 19, 2025
PubMed

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