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Updated: Aug 12, 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

Towards a density functional treatment of chemical reactions in complex media

D R Berard1, D Wei, D R Salahub

  • 1Centre de Recherche en Calcul Appliqué, Montréal, Québec, Canada.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
|January 1, 1997
PubMed

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