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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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Nonuniform scaling applied to surface energies of transition metals

Letizia Chiodo1, Lucian A Constantin, Eduardo Fabiano

  • 1Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia, and European Theoretical Spectroscopy Facility (ETSF), Via Barsanti, I-73010 Arnesano, Italy.

Physical Review Letters
|May 1, 2012
PubMed

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