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Ab initio scf and ci study of the electronic structure of BH3CO

✍ Scribed by Tae-Kyu Ha

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
637 KB
Volume
30
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

Ab initio SCF and CI study of the electr
Ab initio SCF and CI study of the electronic structure of chlorine difluoride cation and anion
✍ A.B. Sannigrahi; S.D. Peyerimhoff πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 352 KB

Ab milio SCF and CI calculations usmg a double-zeta plus polarrwr~on bans SIX hdx,s been prrlormed on the chlorms difluoride cation (GIFT ) and the anion (CIF; ) to determine [heir ground-slate electrontc structure The ClF;l ran IF predfcwd lo have a suongly benr (G,) swucmre (bond angle -Leo) and t

Ab initio SCF and CI study of the electr
Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical
✍ A.B. Sannigrahi; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 314 KB

Equilibrium geometries of the ground 0: "A, ) and the first excited electronic state (%I& the barrier to linearity in the ground state, vertical excitation ener@es and associated osctitor strengths or Metties of various excited states have been calculated for the chlorine ditluoride radical CIFz by