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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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Fast dynamics in coarse-grained polymer models: the effect of the hydrogen bonds

Hossein Ali Karimi-Varzaneh1, Paola Carbone, Florian Müller-Plathe

  • 1Eduard-Zintl-Institut fur Anorganische und Physikalische Chemie, Technische Universitat Darmstadt, Petersenstrasse 20, D-64287 Darmstadt, Germany.

The Journal of Chemical Physics
|December 3, 2008
PubMed

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