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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

Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography

Fareed Bhasha Sayyed1, Cherumuttathu H Suresh, Shridhar R Gadre

  • 1Computational Modeling and Simulation Section, National Institute for Interdisciplinary Science and Technology (CSIR), Trivandrum 695019, India.

The Journal of Physical Chemistry. A
|November 4, 2010
PubMed

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