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Author(s):   Zhu, R. S.; Lin, M. C.
Title:   Ab initio chemical kinetics for ClO reactions with HOx, ClOx and NOx (x=1, 2): A review
Journal:   Comput. Theor. Chem.
Volume:   965
Page(s):   328 - 339
Year:   2011
Reference type:   Journal article
Squib:   2011ZHU/LIN328-339

Reaction:   ClNO2NO2 + ·Cl
Reaction order:   1
Temperature:   400 - 1500 K
Rate expression:   1.53x1015 [s-1] (T/298 K)-1.89 e-140307 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Potential energy surfaces for a series of reactions were studied using quantum chemistry. Rate constants were calculated using transition state theory and, for pressure-dependent rate constants, master equation methods.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
400 4.17E-4
500 1.26E0
600 2.48E2
700 1.03E4
800 1.63E5
900 1.36E6
1000 7.27E6
1100 2.82E7
1200 8.58E7
1300 2.18E8
1400 4.78E8
1500 9.37E8