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Author(s):   Corchado, J.C.; Espinosa-Garcia, J.; Hu, W-P.; Rossi, I.; Truhlar, D.G.
Title:   Dual-level reaction-path dynamics (the lll approach to VTST with semiclassical tunneling). Application to OH + NH3 →’ H2O + NH2
Journal:   J. Phys. Chem.
Volume:   99
Page(s):   687 - 694
Year:   1995
Reference type:   Journal article
Squib:   1995COR/ESP687-694

Reaction:   ·OH + NH3H2O + NH2
Reaction order:   2
Reference reaction:   ND3 + ODD2O + ND2
Reference reaction order:   2
Temperature:   250 - 2000 K
Rate expression:   1.21 e4249 [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) []
250 9.34E0
300 6.65E0
400 4.34E0
500 3.36E0
600 2.84E0
700 2.51E0
800 2.29E0
900 2.13E0
1000 2.02E0
1100 1.93E0
1200 1.85E0
1300 1.79E0
1400 1.74E0
1500 1.70E0
1600 1.67E0
1700 1.63E0
1800 1.61E0
1900 1.58E0
2000 1.56E0