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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

Published on: January 25, 2020

Hybrid approach for ab initio molecular dynamics simulation combining energy density analysis and short-time Fourier

Yusuke Yamauchi1, Hiromi Nakai

  • 1Department of Chemistry, School of Science and Engineering, Waseda University, Tokyo, Japan.

The Journal of Chemical Physics
|August 6, 2005
PubMed

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