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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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Catalytic mechanism of water oxidation with single-site ruthenium-heteropolytungstate complexes

Masato Murakami1, Dachao Hong, Tomoyoshi Suenobu

  • 1Department of Material and Life Science, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan.

Journal of the American Chemical Society
|June 28, 2011
PubMed

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