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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

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Vibrationally averaged post Born-Oppenheimer isotopic dipole moment calculations approaching spectroscopic accuracy

A F C Arapiraca1, Dan Jonsson, J R Mohallem

  • 1Laboratório de Átomos e Moléculas Especiais, Departamento de Física, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil.

The Journal of Chemical Physics
|January 10, 2012
PubMed

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