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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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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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Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize

Carlos A Rezende1, Rosane A S San Gil2, Leandro B Borré2

  • 1Universidade Federal Fluminense, Instituto de Química, Niteroi CEP24020-150, Brazil.

Journal of Pharmaceutical Sciences
|September 16, 2015
PubMed

Keywords:
ab initio calculationscarvedilolcrystal structurepolymorphismsolid-state NMRspectroscopy

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