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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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Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites

Alexander V Larin1

  • 1Department of Chemistry, MSU, Moscow, Russia. nasgo@yandex.ru

Journal of Computational Chemistry
|May 21, 2011
PubMed

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