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Updated: Sep 2, 2025

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

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Structural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of

Towseef Ahmad Hajam1, Saleem H1, F M Mashood Ahamed2

  • 1Department of Physics, Annamalai University, Chidambaram, India.

Journal of Biomolecular Structure & Dynamics
|August 2, 2022
PubMed

Keywords:
HOMO-LUMOLipinski’s ruleMolecular dockinganti-bacterial activity

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