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Accessibility information
Author(s):   Xu, Z-F.; Sun, J-Z.
Title:   Theoretical study on the reaction path and variational rate constant of the reaction HNCO + NH →’ NCO + NH2
Journal:   J. Phys. Chem. A
Volume:   102
Page(s):   1194 - 1199
Year:   1998
Reference type:   Journal article
Squib:   1998XU/SUN1194-1199

Reaction:   NH2 + NCOHN=C=O + NH
Reaction order:   2
Temperature:   1000 - 3000 K
Rate expression:   1.71x10-11 [cm3/molecule s] (T/298 K)1.91 e8639 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1000 4.89E-10
1100 5.34E-10
1200 5.83E-10
1300 6.35E-10
1400 6.91E-10
1500 7.50E-10
1600 8.13E-10
1700 8.78E-10
1800 9.47E-10
1900 1.02E-9
2000 1.09E-9
2100 1.17E-9
2200 1.25E-9
2300 1.33E-9
2400 1.42E-9
2500 1.51E-9
2600 1.60E-9
2700 1.69E-9
2800 1.79E-9
2900 1.89E-9
3000 1.99E-9