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Updated: Aug 13, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

Off-normal incidence dissociative sticking of H2 on Cu(100) studied using six-dimensional quantum calculations

Rob van Harrevelt1, Uwe Manthe

  • 1Theoretische Chemie, Universität Bielefeld, Postfach 100131, D-33501 Bielefeld, Germany. rob.v.harrevelt@ch.tum.de

The Journal of Chemical Physics
|January 6, 2006
PubMed

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