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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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Homogeneous water oxidation catalysts containing a single metal site

Derek J Wasylenko1, Ryan D Palmer, Curtis P Berlinguette

  • 1Department of Chemistry and Centre for Advanced Solar Materials, University of Calgary, 2500 University Drive N.W., Calgary, Canada T2N 1N4.

Chemical Communications (Cambridge, England)
|November 8, 2012
PubMed

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