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Updated: May 9, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

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

Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and

S Muthu1, M Prasath

  • 1Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur, Tamil Nadu, India. muthu@svce.ac.in

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|July 30, 2013
PubMed

Keywords:
FT-IRHyperpolarizablityNBOTGAThermodynamic properties

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