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Author(s):   El-Nahas, A.M.;Uchimaru, T.;Sugie, M.;Tokuhashi, K.;Sekiya, A.
Title:   Relative reactivity and regioselectivity of halogen-substituted ethenes and propene toward addition of an OH radical or O (3P) atom: An ab initio study
Journal:   J. Mol. Struct. Theochem
Volume:   770
Page(s):   59 - 65
Year:   2006
Reference type:   Journal article
Squib:   2006ELN/UCH59-65

Reaction:   CH2=CCl2 + → ·CH2CCl2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated.

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