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Author(s):   Hwang, D.-Y.; Mebel, A.M.
Title:   Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): a theoretical study
Journal:   J. Phys. Chem. A
Volume:   106
Page(s):   12072 - 12083
Year:   2002
Reference type:   Journal article
Squib:   2002HWA/MEB12072-12083

Reaction:   ScOH + ·CH3CH3OH + Sc
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Mechanistic information only
Comments:   Density functional B3LYP calculations were employed to investigate potential energy surfaces for the reactions.

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