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Title: An ab initio study on the molecular elimination reactions of methacrylonitrile
Journal: Bull. Korean Chem. Soc.
Volume: 26
Page(s): 1177 - 1184
Year: 2005
Reference type: Journal article
Squib: 2005OH/PAR1177-1184
Reaction:
CH2=C(CH3)CN → HCN + CH2=C=CH2
Reaction order:
1
Rate expression:
no rate data available
Category: Theory
Data type:
Ab initio
Comments:
Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated.
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