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Hindered internal rotation in the dichloroanhydrides of certain alkylphosphonic acids

✍ Scribed by O. A. Raevskii; N. G. Mumzhieva; T. A. Zyablikova; A. N. Vereshchagin; E. I. Gritsaev; M. M. Gilyazov


Book ID
112438723
Publisher
Springer
Year
1978
Tongue
English
Weight
527 KB
Volume
27
Category
Article
ISSN
1573-9171

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A semi-empirical SCF LCAO MO study of th
✍ K.N. Shaw; L.W. Reeves πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 529 KB

A molecular orbital calculation in the CNDO/Z approximation has been used to determine the possiiIe forms of the transition state for the hindered rotation in formamide, and geometrical optimisation is shown to be important in the determination of the theoretical energy barrier.