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Updated: Jul 14, 2026

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

Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts

Christine M Morales1, Ward H Thompson

  • 1Department of Chemistry, University of Kansas, Lawrence, KS 66045, USA.

The Journal of Physical Chemistry. A
|June 22, 2007
PubMed

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