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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

Noncovalent organocatalysis based on hydrogen bonding: elucidation of reaction paths by computational methods

Kerstin Etzenbach-Effers1, Albrecht Berkessel

  • 1Department of Chemistry, University of Cologne, Greinstrasse 4, 50939 Cologne, Germany.

Topics in Current Chemistry
|April 16, 2011
PubMed

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