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Accessibility information
Author(s):   Xu, Z-F.; Sun, C-C.
Title:   Ab initio study on reaction path and rate constant of the hydrogen atom abstraction reaction HNCO + N →’ NCO + NH
Journal:   J. Mol. Struct. THEOCHEM.
Volume:   459
Page(s):   37 - 46
Year:   1999
Reference type:   Journal article
Squib:   1999XU/SUN37-46

Reaction:   HN=C=O + NNH + NCO
Reaction order:   2
Temperature:   1000 - 3000 K
Rate expression:   3.85x10-5 [cm3/molecule s] e-219502 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1000 1.32E-16
1100 1.45E-15
1200 1.07E-14
1300 5.84E-14
1400 2.49E-13
1500 8.75E-13
1600 2.63E-12
1700 6.94E-12
1800 1.64E-11
1900 3.56E-11
2000 7.13E-11
2100 1.34E-10
2200 2.37E-10
2300 3.99E-10
2400 6.43E-10
2500 9.99E-10
2600 1.50E-9
2700 2.18E-9
2800 3.10E-9
2900 4.29E-9
3000 5.81E-9