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Updated: May 16, 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

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Local Bond-Stretch Coordinates for Anharmonic Vibrational Computations

Sebastian Riis Thomsen1, Nicolai Machholdt Høyer1, Mads Greisen Højlund1

  • 1Department of Chemistry, University of Aarhus, Aarhus C DK-8000, Denmark.

The Journal of Physical Chemistry. A
|April 2, 2025
PubMed

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