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Author(s):   Chang, A.HH.; Lin, S.H.
Title:   A theoretical study of the O(1D)+CH4 reaction II
Journal:   Chem. Phys. Lett.
Volume:   384
Page(s):   229 - 235
Year:   2004
Reference type:   Journal article
Squib:   2004CHA/LIN229-235

Reaction:   O(1D) + CH4(·)CH2OH +
Reaction order:   2
Reference reaction:   O(1D) + CH4 → Products
Reference reaction order:   2
Rate expression:   4.6x10-2
Category:  Theory
Data type:   Ab initio
Comments:   This work employed ab initio calculations at the CCSD(T)/6-311+G(3df,2p)level combined with RRKM calculations to predict branching ratios for product channels for CH4 + O(1D).

NOTE Initial energy distribution was NOT thermal, but 6.6 kcal/mol apparently to compare with results from crossed beam experiments.

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