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Updated: Aug 28, 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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A computational approach for modeling electronic circular dichroism of solvated chromophores

Marta Monti1, Mauro Stener1, Massimiliano Aschi2

  • 1Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Trieste, Italy.

Journal of Computational Chemistry
|September 22, 2022
PubMed

Keywords:
CD spectroscopyDFTTDDFTessential dynamicsmolecular dynamics

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