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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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Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations

Marco Pagliai1, Carlo Cavazzoni, Gianni Cardini

  • 1Laboratorio di Spettroscopia Molecolare, Dipartimento di Chimica, Università di Firenze, Via della Lastruccia 3, I-50019 Sesto Fiorentino, Florence, Italy. marco.pagliai@unifi.it

The Journal of Chemical Physics
|June 17, 2008
PubMed

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