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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

Characterization of dynamics and reactivities of solvated ions by ab initio simulations

Thomas S Hofer1, Hung T Tran, Christian F Schwenk

  • 1Department of Theoretical Chemistry, Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck Innrain 52a, A-6020 Innsbruck, Austria.

Journal of Computational Chemistry
|December 4, 2003
PubMed

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