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Study on the Reaction Mechanism and Kinetics of the Thermal Decomposition of Nitroethane

โœ Scribed by Wang, Qingsheng; Ng, Dedy; Mannan, M. Sam


Book ID
126694686
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
764 KB
Volume
48
Category
Article
ISSN
0888-5885

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## Abstract The kinetics and mechanisms of the gasโ€phase elimination reactions of neopentyl chloride and neopentyl bromide have been studied by means of electronic structure calculations using density functional methods: B3LYP/6โ€31G(d,p), B3LYP/ 6โ€31++G(d,p), MPW1PW91/6โ€31G(d,p), MPW1PW91/6โ€31++G(d