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Ab initio studies on the electronic structure of the FSO radical

✍ Scribed by Shogo Sakai; Keiji Morokuma


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
458 KB
Volume
52
Category
Article
ISSN
0301-0104

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Ab initio study of the electronic spectr
✍ Z.-L. Cai; Gerhard Hirsch; Robert J. Buenker πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 479 KB

Ab initio electronic structure calculations are reported for 18 electronic states of the PO 2 radical. Geometric parameters for the X 2A x ground state are calculated at the MRD-CI level with a triple-zeta basis set plus two polarization d functions, as well as Rydberg functions. The vertical excita