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Updated: May 17, 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

First-principles calculations of rovibrational energies, dipole transition intensities and partition function for

Stuart Carter1, Amit R Sharma, Joel M Bowman

  • 1Department of Chemistry, University of Reading, Reading RG6 2AD, England.

The Journal of Chemical Physics
|October 23, 2012
PubMed

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