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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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Chemical composition and reactivity of water on hexagonal Pt-group metal surfaces

A Shavorskiy1, M J Gladys, G Held

  • 1University of Reading, Department of Chemistry, Whiteknights, Reading, UK RG6 6AD.

Physical Chemistry Chemical Physics : PCCP
|October 11, 2008
PubMed

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