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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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Simulation of Vibrational Spectra of Large Molecules by Arbitrary Time Propagation

Jan Kubelka1, Petr Bouř1

  • 1Department of Chemistry, University of Wyoming, 1000 East University Avenue, Laramie, Wyoming 82071, and Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Flemingovo nám. 2, 16610, Praha 6, Czech Republic.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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