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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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Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane

Chikako Oyanagi1, Kiyoshi Yagi, Tetsuya Taketsugu

  • 1Department of Chemistry, Ochanomizu University, Tokyo, Japan.

The Journal of Chemical Physics
|February 18, 2006
PubMed

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