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Updated: Oct 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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On-the-fly adiabatically switched semiclassical initial value representation molecular dynamics for vibrational

Giacomo Botti1, Michele Ceotto1, Riccardo Conte1

  • 1Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy.

The Journal of Chemical Physics
|December 23, 2021
PubMed

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