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Updated: Mar 13, 2026

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
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Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene
Fabian Gottwald1, Matteo Bonfanti2, Rocco Martinazzo2
1Institute of Physics, University of Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock, Germany.
The Journal of Chemical Physics
|October 27, 2016
Abstract
No abstract available in PubMed .
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