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Updated: Apr 5, 2026

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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Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase

Chiara Cappelli1,2, Julien Bloino1,3, Filippo Lipparini1

  • 1†Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa, Italy.

The Journal of Physical Chemistry Letters
|August 21, 2015
PubMed

Keywords:
chiroptical spectroscopypolarizable continuum modelsolvent effectsvibrational optical activity

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