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Updated: May 9, 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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Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data:

Riccardo Conte1, Michele Gandolfi1, Davide Moscato1

  • 1Dipartimento di Chimica, Università degli Studi di Milano, Milano, Italy.

Journal of Computational Chemistry
|May 3, 2025
PubMed

Keywords:
free web‐platformpower spectratheoretical spectroscopytheoretical vibrational dynamicstime averaged Fourier transform

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