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Updated: Sep 27, 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

Application of a combination of hard and soft modeling for equilibrium systems to the quantitative analysis of

Josef Diewok1, Anna de Juan, Marcel Maeder

  • 1Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164-AC, A-1060 Vienna, Austria.

Analytical Chemistry
|February 15, 2003
PubMed

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