𝔖 Bobbio Scriptorium
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An extensive ab-initio study of the C+NH2 and N+CH2 reactions in relation to the HCN/HNC space abundance ratios

✍ Scribed by D Talbi


Book ID
108313046
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
114 KB
Volume
313
Category
Article
ISSN
0009-2614

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Vinyloxyborane and its isomers. An ab in
✍ Mustafa R. Ibrahim; Michael BΓΌhl; Reinhard Knab; Paul Von Rague Schleyer πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 433 KB

Vinyloxyboranes, CH2=CH-O-BR2, are shown by ab initio molecular orbital theory to be more stable than the isomeric p-aldoboranes, R2B-CH2-CH=O, by ca. 19 kcal/mol. The MP2/6-31G\*/6-31G\* + ZPE barrier for the [1,3] boron shift is only 10.9 kcal/mol (R = Me) relative to the aldoborane. Other C,H,BO