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Photoelectron and ab initio configuration interaction studies of (NSF)3 and (NSF)4; Trends, and geometric and electronic structures in the (NSF)x(x = 1, 2, 3, and 4) series

โœ Scribed by Michael H. Palmer; Richard T. Oakley; Nicholas P.C. Westwood


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
924 KB
Volume
131
Category
Article
ISSN
0301-0104

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Ab initio configuration interaction stud
โœ Giannoula Theodorakopoulos; S.D Peyerimhoff; Robert J Buenker ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 573 KB

Large scale configuration interaction calculations with AO basis sets including f-type species are employed to study the properties of the three 7r 2 states, X 3 Z-, a 1 A and b 1 N + of $2 and SO. The calculations confirm the b 1 l~ +-X 3 N-tran-1 + 3 sition energy of SO as well as the measured To