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Updated: Dec 17, 2025

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

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Trajectory Surface Hopping Nonadiabatic Molecular Dynamics with Kohn-Sham ΔSCF for Condensed-Phase Systems

Momir Mališ1, Sandra Luber1

  • 1University of Zurich, Department of Chemistry, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland.

Journal of Chemical Theory and Computation
|July 1, 2020
PubMed

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