𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Generalized orbital description of the reactions of small molecules

✍ Scribed by Goddard, William A.; Ladner, Robert C.

Book ID
120324562
Publisher
American Chemical Society
Year
1971
Tongue
English
Weight
810 KB
Volume
93
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES

Bond-orbital study of the angular geomet
Bond-orbital study of the angular geometry of small polyatomic molecules
✍ Valerio Magnasco; Marina Rui; Gian Franco Musso πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 425 KB

Ab initio STO-3G bond-orbital (BO) studies of the angular geometry in CH,, NHs, H20, CH\*O, CH3F, CH2F2 show that the small second-order delocalization between non-orthogonal SCF BOs is essential to give reasonably accurate results when lone pairs are present on the central atom.