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Theoretical investigation of the lowest-lying electronic structure of LuI molecules

✍ Scribed by Assaf, J.; Taher, F.; Magnier, S.


Book ID
122029501
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
802 KB
Volume
118
Category
Article
ISSN
1386-1425

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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