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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:   ·OH + ND3HDO + ND2
Reference reaction order:   2
Temperature:   250 - 2000 K
Rate expression:   1.1 e4531 [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 9.73E0
300 6.77E0
400 4.30E0
500 3.27E0
600 2.73E0
700 2.40E0
800 2.17E0
900 2.02E0
1000 1.90E0
1100 1.81E0
1200 1.73E0
1300 1.67E0
1400 1.62E0
1500 1.58E0
1600 1.55E0
1700 1.52E0
1800 1.49E0
1900 1.47E0
2000 1.44E0