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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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Simulation of Forces between Humid Amorphous Silica Surfaces: A Comparison of Empirical Atomistic Force Fields

Sabine Leroch1, Martin Wendland

  • 1Institute of Chemical and Energy Engineering, University of Natural Resources and Life Sciences , Vienna, Austria.

The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|February 5, 2013
PubMed

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