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Updated: Nov 29, 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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Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure,

Alexander E Pogonin1, Artyom Y Shagurin2, Maria A Savenkova1

  • 1Department of Nanomaterials and Ceramic Technology, Ivanovo State University of Chemistry and Technology, Sheremetevsky av., 7, 153000 Ivanovo, Russia.

Molecules (Basel, Switzerland)
|November 20, 2020
PubMed

Keywords:
absorption spectraaza-BODIPYintramolecular rotationmolecular structurequantum chemical calculationsvibronic spectra

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