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Accessibility information
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:   NH3 + ODNH2 + HDO
Reference reaction order:   2
Temperature:   250 - 2000 K
Rate expression:   1.04 e-266 [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 9.15E-1
300 9.35E-1
400 9.60E-1
500 9.76E-1
600 9.86E-1
700 9.94E-1
800 9.99E-1
900 1.00E0
1000 1.01E0
1100 1.01E0
1200 1.01E0
1300 1.01E0
1400 1.02E0
1500 1.02E0
1600 1.02E0
1700 1.02E0
1800 1.02E0
1900 1.02E0
2000 1.02E0