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Updated: Nov 28, 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

Published on: January 25, 2020

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How much anharmonicity is in vibrational spectra of CH3I and CD3I?

Swapnil Singh1, Mirosław Antoni Czarnecki1

  • 1Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|December 1, 2020
PubMed

Keywords:
Anharmonic calculationsAnharmonicityBand assignmentsCD(3)ICH(3)IMid-infrared (MIR)Near-infrared (NIR)Vibrational intensitiesVibrational spectroscopy

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