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Three Lowest-Lying Electronic States of NH 2

✍ Scribed by Yamaguchi, Yukio; Hoffman, Brian C.; Stephens, Jeffrey C.; Schaefer, Henry F.


Book ID
120171539
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
70 KB
Volume
103
Category
Article
ISSN
1089-5639

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Theoretical electronic structure of the
✍ F. Taher-Mansour; A.R. Allouche; M. Aubert-FrΓ©con πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 161 KB

CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2SΓΎ1 K ðþÞ (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=Γ€Γž (including spin-orbit effects) have been calculated using a semi-empirical