Electronic and Geometric Structures of +ScSe and +ScSeH

The [sup +]ScSe and [sup +]ScSeh molecules were investigated by determining the multiconfiguration self-consistent field (MCSCF) and configuration interaction (MCSCF + 1 + 2) wave functions for the [sup 1][Sigma][sup +], [sup 3][Delta] and [sup 3][Sigma][sup +] states of [sup +]ScSe and the [sup 2][...

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Veröffentlicht in:	Journal of physical chemistry (1952) 1994-06, Vol.98 (26), p.6474-6480
Hauptverfasser:	Tilson, J. L, Harrison, J. F
Format:	Artikel
Sprache:	eng
Schlagworte:	664100 > Theory of Electronic Structure of Atoms & Molecules-- (1992-) ATOMIC AND MOLECULAR PHYSICS CHEMICAL BONDS DATA ELECTRONIC STRUCTURE ENERGY LEVELS EXCITED STATES FUNCTIONS INFORMATION INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY MOLECULAR STRUCTURE NUMERICAL DATA SCANDIUM COMPOUNDS SELENIUM COMPOUNDS THEORETICAL DATA TRANSITION ELEMENT COMPOUNDS 400201 > Chemical & Physicochemical Properties VALENCE VIBRATIONAL STATES WAVE FUNCTIONS
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