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Author(s):
Notario, R.; Quijano, J.; Sanchez, C.; Velez, E.
Title:
Theoretical study of the mechanism of thermal decomposition of Carbonate esters in the gas phase
Journal:
J. Phys. Org. Chem.
Volume:
18
Page(s):
134 - 141
Year:
2005
Reference type:
Journal article
Squib:
2005NOT/QUI134-141
Reaction:
CH3OC(O)OCH2CH3 → CH3OH + C2H4 + CO2
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 reported for individual channels.
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