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Author(s):   Church, J.R.; Skodje, R.T.
Title:   Double Hydrogen-Atom Exchange Reactions of HX (X = F, CI, Br, I) with HO2
Journal:   J. Phys. Chem. A
Volume:   122
Page(s):   5251 - 5260
Year:   2018
Reference type:   Journal article
Squib:   2018CHU/SKO5251-5260

Reaction:   HI + DO2HO2 + DI
Reaction order:   2
Temperature:   260 - 1500 K
Rate expression:   no rate data available
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. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expressions are given for the k(T) dependences. Instead, parameters of double-Arrhenius expressions are presented.

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