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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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Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surface

Jeffery Ludwig1, Dionisios G Vlachos

  • 1Department of Chemical Engineering and Center for Catalytic Science and Technology, University of Delaware, Newark, DE 19716-3110, USA.

The Journal of Chemical Physics
|April 25, 2008
PubMed

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