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Title: Vibrational Mode Analysis for the Multi-Channel Reaction of CH3O + CO
Journal: Chem. Phys. Lett.
Volume: 353
Page(s): 281 - 289
Year: 2002
Reference type: Journal article
Squib: 2002ZHO/CHE281-289
Reaction:
CO + CH3CO → CO2 + ·CH3
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Ab initio
Comments:
Reaction pathways are traced through the transition states important to the title reaction. The energy level diagram was constructed from ab initio results computed at the B3LYP/6-311++G** level.
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