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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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Conformational analysis and vibrational study of daidzein by using FT-IR and FT-Raman spectroscopies and DFT

Harshita Singh1, Swapnil Singh1, Anubha Srivastava1

  • 1Department of Physics, University of Lucknow, Lucknow 226007, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|November 12, 2013
PubMed

Keywords:
DFTDaidzeinHOMO–LUMOIR and Raman spectroscopyNBO analysisNLO

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