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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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Electron localization and delocalization indices for solids

Alexey I Baranov1, Miroslav Kohout

  • 1Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Strasse 40, 01187, Dresden, Germany. baranov@cpfs.mpg.de.

Journal of Computational Chemistry
|May 4, 2011
PubMed

Keywords:
ELIQTAIMchemical bondingdelocalization indiceslocalization indicessolids

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