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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
08:54

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

Ab initio MRD-CI study of the spectrum of the TeO molecule employing relativistic effective core potentials

Vidisha Rai-Constapel1, Heinz-Peter Liebermann, Robert J Buenker

  • 1Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universität Wuppertal, Gaussstr. 20, D-42119 Wuppertal, Germany. vidi_shal@yahoo.com

The Journal of Physical Chemistry. A
|January 13, 2006
PubMed

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