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Author(s):   Zhang, Z.; Liu, J.; Li, Z.; Liu, J.; Sun, C.
Title:   Theoretical Study on the Mechanism of the CH + CH3OH Reaction
Journal:   J. Phys. Chem. A:
Volume:   106
Page(s):   3814 - 3818
Year:   2002
Reference type:   Journal article
Squib:   2002ZHA/LIU3814-3818

Reaction:   CH3OH + ·CH → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   No gas phase rate data are reported. The mechanism of the reaction was investigated theoretically potential energy surface (PES) calculation at the B3LYP/6-311G(d,p) and CCSD(T)/6-311+G(d,p) (single-point) levels. Energies ans structures are reported, but molecular properties such as frequencies are not reported. The mechanism is discussed.

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