Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable

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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
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

L Renee Olano1, Steven W Rick

  • 1Department of Chemistry, University of New Orleans, New Orleans, Louisiana 70148, USA.

Journal of Computational Chemistry
|March 12, 2005
PubMed

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