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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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Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60)

Jean-Joseph Adjizian1, Alexis Vlandas2, Jeremy Rio3

  • 1Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Chemin des Étoiles 8, 1348 Louvain-la-Neuve, Belgium.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|August 10, 2016
PubMed

Keywords:
Fourier transform infrared spectroscopydensity functional theoryfullereneinfraredinterstellarspectroscopy

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