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Electronic and geometeric rearrangements in the protonation process. An ab initio study of the monothioformate anion

✍ Scribed by S. El Ouadi; A. Dargelos; M. Chaillet


Book ID
107732017
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
531 KB
Volume
62
Category
Article
ISSN
0009-2614

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Ab initio SCF and CI study of the electr
✍ 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