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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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Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface

Richard Handel1, Ruslan L Davidchack, Jamshed Anwar

  • 1Department of Mathematics, University of Leicester, Leicester, United Kingsom.

Physical Review Letters
|February 1, 2008
PubMed

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