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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

Published on: January 25, 2020

DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone

M Govindarajan1, K Ganasan, S Periandy

  • 1Department of Physics, Avvaiyar Govt College Women, Karaikal 609602, India. govindarajan64@gmail.com

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|March 24, 2010
PubMed

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