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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 spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of

K Govindarasu1, E Kavitha1

  • 1Department of Physics (Engg.), Annamalai University, Annamalainagar 608 002, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|December 5, 2013
PubMed

Keywords:
4-Methoxy-4′-NitrobiphenylHyperpolarizabilityNBONMRTD-DFTUV–Vis

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