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Kinetic and quantum chemical studies of the mechanism of formation of 1,2-dialkyldiaziridines

โœ Scribed by Kuznetsov, V. V.; Seregin, V. V.; Laptev, A. A.; Khakimov, D. V.; Pivina, T. S.; Simakova, A. P.; Vedenyapina, M. D.; Vedenyapin, A. A.; Makhova, N. N.

Book ID
120440303
Publisher
Springer
Year
2012
Tongue
English
Weight
400 KB
Volume
61
Category
Article
ISSN
1573-9171

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โœ Maoxia He; Feng Zhu; Dacheng Feng; Zhengting Cai ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 211 KB

The alcoholysis of 1,2-thiazetidine 1,1-dioxide has been investigated using ab initio and density functional theory at HF/6-31G\*, MP2/6-31G\*//HF/6-31G\* and B3LYP/6-31G\* levels. The geometries, energies and frequencies of all stationary points were calculated in detail. Solvent effects have been