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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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van der Waals density functional for general geometries

M Dion1, H Rydberg, E Schröder

  • 1Center for Materials Theory, Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA.

Physical Review Letters
|July 13, 2004
PubMed

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