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Updated: Aug 14, 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

A new ab initio interaction energy surface and high-resolution spectra of the H2-CO van der Waals complex

Piotr Jankowski1, Krzysztof Szalewicz

  • 1Department of Quantum Chemistry, Institute of Chemistry, Nicholaus Copernicus University, Toruń, Poland. teojan@chem.uni.torun.pl

The Journal of Chemical Physics
|September 24, 2005
PubMed

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