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Author(s):   Qin, S.; Hu, C.W.; Su, Z.S.
Title:   Theoretical study on the mechanism of the reaction of Li2O with CH4
Journal:   J. Mol. Struct. (Theochem)
Volume:   719
Page(s):   201 - 206
Year:   2005
Reference type:   Journal article
Squib:   2005QIN/HU201-206

Reaction:   CH4 + Li2OCH3OH + Li2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   The title reaction was studied with B3LYP/6-311++G(3df,3pd) and CCSD(T)/6-311++G(2d,2p) level calculations.

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