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Author(s):   Zhao, H.M.; Sun, C.K.; Zhang, R.C.; Xi, H.M.; Li, Z.H.
Title:   Theoretical study on the reaction mechanism of (CH3)3CO+CO
Journal:   Sci. Chin. Ser. B
Volume:   48
Page(s):   18 - 24
Year:   2005
Reference type:   Journal article
Squib:   2005ZHA/SUN18-24

Reaction:   CO + (CH3)3CO· → CO2 + tert-C4H9
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   The reaction mechanism was studied with B3LYP/6-31++G** level calculations.

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