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Updated: Aug 9, 2026

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
First-principles approaches to the structure and reactivity of atmospherically relevant aqueous interfaces
Christopher J Mundy1, I-Feng W Kuo
1Computational Chemistry and Chemical Biology, Chemistry and Materials Science, Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94551, USA. mundy2@llnl.gov
Chemical Reviews
|April 13, 2006
Abstract
No abstract available in PubMed .
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