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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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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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Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization

Arne Scherrer1, Federica Agostini2, Daniel Sebastiani1

  • 1Martin-Luther-University Halle-Wittenberg, von-Danckelmann-Platz 4, D-06120 Halle, Germany.

The Journal of Chemical Physics
|August 24, 2015
PubMed

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