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Author(s):   Li, S.Q.;Zhang, Q.Z.;Wang, W.X.
Title:   Ab initio and variational transition state approach to atmospheric photooxidation: Mechanism and kinetics for the reaction of HN3 with OH radicals
Journal:   Chem. Phys. Lett.
Volume:   428
Page(s):   262 - 267
Year:   2006
Reference type:   Journal article
Squib:   2006LI/ZHA262-267

Reaction:   ·OH + HN3 → O(3P) + N2 + NH2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   No reaction rates given. Ab initio study, using molecular orbital calculations, canonical variation theory (CVT) with small-curvature tunneling (SCT) QCISD(T)/6-311+G(3df,2p) energies. HN3 + OH -> O(3P) + N2 + NH2 Ea = 103.02kcal/mol DrH = 24.69kcal/mol No uncertainties reported.

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