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Author(s):   Klippenstein, S.J.; Harding, L.B.
Title:   Kinetics of the H plus NCO reaction
Journal:   Proc. Combust. Inst.
Volume:   32
Page(s):   149 - 155
Year:   2009
Reference type:   Journal article
Squib:   2009KLI/HAR149-155

Reaction:   + NCO → (3)NH + CO
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Ab initio transition state theory based master equation simulations were used to predict the temperature and pressure dependence of the H + NCO reaction rate and product branching. Rate constants were calculated for collisionless conditions for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants are presented in a graphical format.

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