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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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Calculating and Characterizing the Charge Distributions in Solids

Indrani Choudhuri1, Donald G Truhlar1

  • 1Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States.

Journal of Chemical Theory and Computation
|June 17, 2020
PubMed

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