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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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Vibrational spectral assignments of paraldehyde by ab initio and density functional methods

Sethu Gunasekaran1, Ramadoss Arunbalaji, Subramanian Kumaresan

  • 1SpectroPhysics Research Laboratory, Pachaiyappa's college, Chennai 600030, India.

Journal of Molecular Modeling
|February 27, 2008
PubMed

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