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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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Theoretical study of the H(2) reaction with a Pt(4) (111) cluster

A Cruz1, V Bertin, E Poulain

  • 1Departamento de Quimica, CBI, UAM-I, A.P. 55-534, Mexico Distrito Federal 09340 Mexico.

The Journal of Chemical Physics
|July 23, 2004
PubMed

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