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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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Molecular conformational analysis, vibrational spectra, NBO, NLO analysis and molecular docking study of

Y Sheena Mary1, C Yohannan Panicker2, Thies Thiemann3

  • 1Department of Physics, Fatima Mata National College, Kollam, Kerala, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|July 6, 2015
PubMed

Keywords:
AnthraceneDFTDockingFT-IRFT-Raman

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