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Updated: May 20, 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

Dynamics of water/methanol mixtures at functionalized chromatographic interfaces

Prashant Kumar Gupta1, Markus Meuwly

  • 1Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.

The Journal of Physical Chemistry. B
|July 31, 2012
PubMed

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