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Updated: Apr 20, 2026

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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DFT studies on vibrational spectra, HOMO-LUMO, NBO and thermodynamic function analysis of cyanuric fluoride

M Prabhaharan1, A R Prabakaran2, S Gunasekaran3

  • 1Department of Physics, Aksheyaa College of Engineering, Puludivakkam, Madurantagam-Tk, Kancheepuram-Dt, Tamil Nadu, India; PG and Research Department of Physics, Pachaiyappa's College, Chennai, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|December 3, 2014
PubMed

Keywords:
Cyanuric fluorideHOMO–LUMOMEP and NBO

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