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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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Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems

Shina C L Kamerlin1, Spyridon Vicatos, Anatoly Dryga

  • 1Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA.

Annual Review of Physical Chemistry
|November 2, 2010
PubMed

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