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Updated: Aug 7, 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

Theoretical study of the first acid dissociation of H2SO4 at a model aqueous surface

Roberto Bianco1, Shuzhi Wang, James T Hynes

  • 1Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215, USA. roberto.bianco@colorado.edu

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed

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