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Updated: Aug 23, 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

Published on: January 25, 2020

Fourier transform infrared and Raman spectra. Semi empirical AM1 and PM3; MP2/DZV and DFT/B3LYP-6-31G(d) ab initio

Claudio A Téllez1, Eduardo Hollauer, Tiago Giannerini

  • 1Departamento de Físico-Química, Instituto de Química, Universidade Federal Fluminense (UFF), Morro do Valonguinho s/n, Niterói-Centro, CEP: 24210-150, Rio de Janeiro-RJ, Brazil. tellez@vm.uff.br

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|July 14, 2004
PubMed

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