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Updated: Jul 7, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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

Potential energy surface of HDO up to 25,000 cm-1

S N Yurchenko1, B A Voronin, R N Tolchenov

  • 1Institut für Physikalische Chemie und Elektrochemie, Technische Universität Dresden, D-01062 Dresden, Germany.

The Journal of Chemical Physics
|February 6, 2008
PubMed

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