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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
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

A density functional theory based study of the microscopic structure and dynamics of aqueous HCl solutions

J M Heuft1, E J Meijer

  • 1Van't Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Nieuwe Achtergracht 166, NL-1018 WV, Amsterdam, The Netherlands.

Physical Chemistry Chemical Physics : PCCP
|June 29, 2006
PubMed

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