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Updated: Jun 29, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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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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Physical Chemistry Models for Chemical Research in the XXth and XXIst Centuries

Josep M Ribó1,2, David Hochberg3

  • 1Department of Inorganic and Organic Chemistry, University of Barcelona, c. Martí i Franquès 1, 08028 Barcelona, Catalonia, Spain.

ACS Physical Chemistry Au
|April 1, 2024
PubMed

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