REX calculations. XII: Iteration parameters for the 5f-element organometallics of thorium-neptunium. Geometries of ThO2 and UO22+ revisited

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Veröffentlicht in:	Inorganic chemistry 1989, Vol.28 (10), p.1801-1805
Hauptverfasser:	PYYKKO, P, LAAKKONEN, L. J, TATSUMI, K
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.)
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