✦ LIBER ✦

Relative stability, potential barrier and intensity parameters of the trans and cis isomers of fluoroacetyl fluoride: An ab initio study

✍ Scribed by R. Fausto; J.J.C. Teixeira-Dias; Mozart N. Ramos

Book ID: 108007490
Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 440 KB
Volume: 44
Category: Article
ISSN: 1386-1425
DOI: 10.1016/0584-8539(88)80259-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of the relative stabi

An ab initio study of the relative stabilities of the isomers of CH2N2 and SiH2N2

✍ Colin Thomson; Christopher Glidewell 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 645 KB

A b inztio SCF calculations of the equilibrium geometries have been carried out on nine possible isomers of MHzN2, where M = C or Si, and compared with the results of MNDO calculations. The results for the carbon compounds are in good agreement with available experimental data, but in the case of th

Vinyloxyborane and its isomers. An ab in

Vinyloxyborane and its isomers. An ab initio study of the C2H5BO potential energy surface, the barrier to 1,3-shifts in β-ketoboranes, and the mechanism of the carbonylation reaction of boranes

✍ Mustafa R. Ibrahim; Michael Bühl; Reinhard Knab; Paul Von Rague Schleyer 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 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