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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

Analytical potential energy surfaces for N(3) low-lying doublet states

Zhi Wang1, Ioannis S K Kerkines, Keiji Morokuma

  • 1Department of Chemistry and Cherry Logan Emerson Center for Scientific Computation, Emory University, 1515 Dickey Drive, Atlanta, Georgia 30322, USA.

The Journal of Chemical Physics
|February 5, 2009
PubMed

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