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Ring Inversion, Ultraviolet Spectrum, and Electronic Structure of the Monohomotropylium Ion 1,2

✍ Scribed by Winstein, S.; Kreiter, C. G.; Brauman, J. I.


Book ID
126115749
Publisher
American Chemical Society
Year
1966
Tongue
English
Weight
276 KB
Volume
88
Category
Article
ISSN
0002-7863

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Ab initio study of the electronic struct
✍ A.B. Sannigrahi; S.D. Peyerimhoff πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 249 KB

The ground-state electronic structure. vertical excitation energies and associated oscillator strengths or lifetimes have been calculated for the S,N-ion by the ab mitio MRD CI method using a basis set of near Hartree-Fock quality. At the highest level oftheory (estimated full CI), S2N-1s predicted