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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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Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent

Keyvan Sadri1, David Lauvergnat2, Fabien Gatti3

  • 1Theoretische Chemie, Ruprecht-Karls-Universität, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany.

The Journal of Chemical Physics
|September 22, 2014
PubMed

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