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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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Communication: Calibration of a strong-correlation density functional on transition-metal atoms

Axel D Becke1

  • 1Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada. axel.becke@dal.ca

The Journal of Chemical Physics
|May 3, 2013
PubMed

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