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Author(s):   Lesar, A.;Kovacic, S.;Hodoscek, M.
Title:   CIONO and BrONO loss mechanisms in the presence of NO2: A quantum-mechanical study
Journal:   Chem. Phys. Lett.
Volume:   429
Page(s):   343 - 349
Year:   2006
Reference type:   Journal article
Squib:   2006LES/KOV343-349

Reaction:   trans-BrONO + NO2NO + BrONO2
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 B3LYP density functional theory. CBS-QB3 energies. trans-BrONO + NO2 -> BrONO2 + NO Ea = 22.9kcal/mol DrH = 2.7kcal/mol No uncertainties reported.

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