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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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Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from

Vincenzo Barone1, Ivo Cacelli, Nicola De Mitri

  • 1Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy.

Physical Chemistry Chemical Physics : PCCP
|February 8, 2013
PubMed

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