Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes

Polarization energy of the [Lr–OH2]3+ dimer systems as calculated with both a small and large core pseudopotential as a function of the Lr–OH2 distance. [Display omitted] ► Energy decomposition analysis of lanthanide and actinide monoaqua systems. ► Open-shell and closed-shell complexes. ► Compariso...

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Veröffentlicht in:	Chemical physics letters 2013-03, Vol.563, p.25-29
Hauptverfasser:	Marjolin, A., Gourlaouen, C., Clavaguéra, C., Dognon, J.-P., Piquemal, J.-P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences or physical chemistry Theoretical and
Online-Zugang:	Volltext
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