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A theoretical study of the gas-phase pyrolysis of nitroethylene

✍ Scribed by Alexander G. Shamov; Grigorii M. Khrapkovskii


Book ID
119767911
Publisher
Royal Society of Chemistry
Year
2001
Tongue
English
Weight
133 KB
Volume
11
Category
Article
ISSN
0959-9436

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## Abstract The study of the kinetics and mechanism of dehydrochlorination reaction of 2‐methyl benzyl chloride in the gas phase was carried out by means of electronic structure calculations using ab initio MΓ³ller‐Plesset MP2/6‐31G(d,p), and Density Functional Theory (DFT) methods: B3LYP/6‐31G(d,p)