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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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Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates

Yurii N Zhuravlev1, Victor V Atuchin2,3,4

  • 1Institute of Basic Sciences, Kemerovo State University, 650000 Kemerovo, Russia.

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

Keywords:
Density Functional TheoryRaman spectracation radiusinfrared spectrametal carbonatesnormal vibrations

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