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Updated: Mar 24, 2026

10:52
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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Publisher's Note: "H-bonding of an NH3 gas molecule to H2O/Pt(111)--A barrier-free path" [J. Chem. Phys. 144, 054701
Graeme Henkelman1, Peter J Feibelman2
1Department of Chemistry and the Institute for Computational and Engineering Sciences, University of Texas at Austin, Austin, Texas 78712, USA.
The Journal of Chemical Physics
|March 3, 2016
Abstract
No abstract available in PubMed .
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