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Updated: Jan 14, 2026

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

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Solvent Effects on Nonadiabatic Coupling: Interfacing Time-Dependent Density Functional Theory with the Effective

F Zahariev1, M S Gordon1

  • 1Department of Chemistry and Ames National Laboratory, Iowa State University, Ames, Iowa 50011, United States.

Journal of Chemical Theory and Computation
|January 12, 2026
PubMed
Abstract

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