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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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An Intuitively Understandable Quality Measure for Theoretical Vibrational Spectra

Henning Henschel1, David van der Spoel1

  • 1Uppsala Center for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden.

The Journal of Physical Chemistry Letters
|June 20, 2020
PubMed

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