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Theoretical electronic structure of the lowest-lying states of ScCl molecule below 22 500 cm−1

✍ Scribed by F. Taher-Mansour; A. Allouche; M. Korek


Book ID
108185256
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
258 KB
Volume
248
Category
Article
ISSN
0022-2852

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Theoretical electronic structure of the
✍ F. Taher-Mansour; A.R. Allouche; M. Aubert-Frécon 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 161 KB

CAS-SCF/MRCI calculations have been performed for 11 molecular states in the representation 2Sþ1 K ðþÞ (neglecting spin-orbit effects) for the molecule LaI. The corresponding 25 molecular states in the representation X ðþ=ÀÞ (including spin-orbit effects) have been calculated using a semi-empirical