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Author(s):   Furuhama, A.; Imamura, T.; Maeda, S.; Taketsugu, T.
Title:   Theoretical study of initial reactions of amine (CH3)(n)NH(3-n) (n=1, 2, 3) with ozone
Journal:   Chem. Phys. Lett.
Volume:   692
Page(s):   111 - 116
Year:   2018
Reference type:   Journal article
Squib:   2018FUR/IMA111-116

Reaction:   CH3NH2 + O3 → HO3 + CH2NH2
Reaction order:   2
Reference reaction:   CH3NH2 + O3 → Products
Reference reaction order:   2
Temperature:   298 K
Rate expression:   9.79x10-1
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory with tunneling correction. The quoted value is for a branching fraction.

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