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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

Density functional theory study of intramolecular hydrogen bonding and proton transfer in o-hydroxyaryl ketimines

Aleksander Filarowski1, Aleksander Koll, Poul Erik Hansen

  • 1Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland. afil@wchuwr.chem.uni.wroc.pl

The Journal of Physical Chemistry. A
|March 25, 2008
PubMed

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