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Accessibility information
Author(s):   Zhu, R.S.; Lin, M.C.
Title:   Ab initio studies of ClOx reactions. IV. Kinetics and mechanism for the self-reaction of ClO radicals
Journal:   J. Chem. Phys.
Volume:   118
Page(s):   4094 - 4106
Year:   2003
Reference type:   Journal article
Squib:   2003ZHU/LIN4094-4106

Reaction:   ClO + ClOClOO + ·Cl
Reaction order:   2
Temperature:   200 - 1500 K
Rate expression:   1.09x10-11 [cm3/molecule s] (T/298 K)0.77 e-18026 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Equation derived using ab initio calculations at the B3LYP/611-+G(3df) level.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 1.58E-16
300 7.99E-15
400 6.07E-14
500 2.13E-13
600 5.05E-13
700 9.53E-13
800 1.56E-12
900 2.30E-12
1000 3.18E-12
1100 4.16E-12
1200 5.25E-12
1300 6.41E-12
1400 7.65E-12
1500 8.94E-12