Speciation of the Curium(III) Ion in Aqueous Solution:  A Combined Study by Quantum Chemistry and Molecular Dynamics Simulation

The structures of aquo complexes of the curium(III) ion have been systematically studied using quantum chemical and molecular dynamics (MD) methods. The first hydration shell of the Cm3+ ion has been calculated using density functional theory (DFT), with and without inclusion of the conductor-like p...

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Veröffentlicht in:	Inorganic chemistry 2006-07, Vol.45 (14), p.5291-5301
Hauptverfasser:	Yang, Bursten, Bruce E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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