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Updated: Aug 8, 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

Time-dependent wave packet studies on the Cl + HCl hydrogen exchange reaction

Gé W M Vissers1, Anne B McCoy

  • 1Department of Chemistry, The Ohio State University, Columbus, Ohio 43210, USA.

The Journal of Physical Chemistry. A
|May 5, 2006
PubMed

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