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Updated: Jun 25, 2026

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

Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio

Sarah M Remmert1, Simon T Banks, David C Clary

  • 1Department of Chemistry, University of Oxford, PTCL, South Parks Road, Oxford, OX13QZ, United Kingdom.

The Journal of Physical Chemistry. A
|March 4, 2009
PubMed

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