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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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