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Updated: Mar 3, 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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Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo

M A M El-Mansy1

  • 1Molecular Modeling Simulation Group, Physics Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|April 30, 2017
PubMed

Keywords:
DFT/B3LYPDOSFT-IRHOMO-LUMO energiesIndigo carmine isomersMEPNLO

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