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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
Stephan N Steinmann1, Zi-Yang Wei2, Philippe Sautet3,4,5
1Laboratoire de Chimie UMR 5182, CNRS, Université Lyon 1, École Normale Supérieure de Lyon, Université de Lyon, F-69364 Lyon, France.
No abstract available in PubMed .