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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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Cesium's Off-the-Map Valence Orbital

Maarten G Goesten1,2, Martin Rahm2, F Matthias Bickelhaupt3,4

  • 1Inorganic Materials Chemistry, Schuit Institute of Catalysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB, Eindhoven, The Netherlands.

Angewandte Chemie (International Ed. in English)
|June 24, 2017
PubMed

Keywords:
bond theorycore electron reactivityinorganic chemistryoxidationvalence

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