Understanding the structure and electronic properties of Th 4+ -water complexes

We present a systematic quantum chemistry study of the [Th(H 2 O) n ] 4+ (n = 1 to 10) complexes to gain insight into their electronic structure and properties: the effect of the ligand distribution on the valence shells of the thorium(IV) ion is studied by means of the electron localization functio...

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Veröffentlicht in:	Canadian journal of chemistry 2013-09, Vol.91 (9), p.821-831
Hauptverfasser:	Gourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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