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A computational study of the addition reaction of cyclopropenylidene with methyleneimine

โœ Scribed by Qingling Li, Qiao Sun, Jinsong Gu, Xiaojun Tan

Book ID
120833509
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2013
Tongue
English
Weight
227 KB
Volume
87
Category
Article
ISSN
0036-0244

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A computational study of the reaction of
A computational study of the reaction of methane with methyl radical
โœ Richard D. Gilliom ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 372 KB ๐Ÿ‘ 1 views

The activation energy and optimized transition-state geometry for the abstraction of a hydrogen atom from methane by methyl radical have been calculated by the semiempirical methods MIND0/3 and MNDo. These results are compared with other semiempirical and ab initio results. The MINDO/3 method, based