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Title: Theoretical study of the gas-phase thermolysis reaction of alkyl (ethyl, isopropyl, and tert-butyl) N,N-dimethylcarbamates and N,N-diethylcarbamates
Journal: Theor. Chem. Acct.
Volume: 110
Page(s): 377 - 386
Year: 2003
Reference type: Journal article
Squib: 2003QUI/NOT377-386
Reaction:
(CH3CH2)2NCO(O)CH(CH3)2 → CH3CH=CH2 + CO2 + sec-C4H9NH2
Reaction order:
1
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Comments:
Potential energy diagram was computed at the MP2/6-311++G(2d,p)//MP2/6-31G(d) level. Two transition states reside on the reaction path.
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