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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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First principles molecular dynamics of molten NaI: structure, self-diffusion, polarization effects, and charge

N Galamba1, B J Costa Cabral

  • 1Grupo de Física-Matemática da Universidade de Lisboa, Avenue Professor Gama Pinto 2, 1649-003 Lisboa, Portugal. ngalamba@cii.fc.ul.pt

The Journal of Chemical Physics
|September 11, 2007
PubMed

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