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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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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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One-electron activation of water oxidation catalysis

Yusuke Tamaki1, Aaron K Vannucci, Christopher J Dares

  • 1Department of Chemistry, University of North Carolina at Chapel Hill , CB 3290, Chapel Hill, North Carolina 27599, United States.

Journal of the American Chemical Society
|April 25, 2014
PubMed

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