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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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Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of

Max Buchholz1, Frank Grossmann2, Michele Ceotto1

  • 1Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy.

The Journal of Chemical Physics
|March 24, 2018
PubMed

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