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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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Quantum mechanical polarizable force field (QMPFF3): refinement and validation of the dispersion interaction for

A G Donchev1, N G Galkin, L B Pereyaslavets

  • 1Algodign, LLC, B. Sadovaya 8-1, Moscow 123379, Russia.

The Journal of Chemical Physics
|January 4, 2007
PubMed

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