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Correlation of hardness with bond order. Polyatomic molecules

✍ Scribed by Asit Kumar Chandra


Book ID
114141877
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
557 KB
Volume
312
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Bond-orbital study of the angular geomet
✍ 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.