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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

First-principles calculation of geometry and anharmonic vibrational spectra of thioformamide and thioformamide-d2

Andrzej T Kowal1

  • 1Department of Chemistry, Wrocław University of Technology, Wyb. St. Wyspiańskiego 27, 50-370 Wrocław, Poland. andrzej.t.kowal@pwr.wroc.pl

The Journal of Chemical Physics
|January 18, 2006
PubMed

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