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Updated: Apr 9, 2026

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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Spectroscopic Investigation of Thioacrolein by Variational and Perturbational Approaches

Guntram Rauhut1

  • 1Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart, Germany.

Journal of Computational Chemistry
|April 8, 2026
PubMed
Abstract

Keywords:
rotational transitionsthioacroleinvibrational configuration interactionvibrational perturbation theoryvibrational transitions

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