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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 Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

Solvent effects on the electronic structure and spectroscopic properties of a binuclear rhodium carbonyl complex: a

David E Arthur1, Alexander V Soldatov2, Bogdan Protsenko2

  • 1The Smart Material Research Institute, Southern Federal University, Rostov, Russia. artur@sfedu.ru.

Journal of Molecular Modeling
|August 19, 2026
PubMed
Abstract

Keywords:
Binuclear rhodium complexDFT calculationsElectronic spectroscopyNBO analysisNCI-RDG visualizationSolvent effects

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