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Author(s):   Kjaergaard, H.G.; Knap, H.C.; Ornso, K.B.; Jorgensen, S.; Crounse, J.D.; Paulot, F.; Wennberg, P.O.
Title:   Atmospheric Fate of Methacrolein. 2. Formation of Lactone and Implications for Organic Aerosol Production
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   5763 - 5768
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012KJA/KNA5763-5768

Reaction:   ·OH + 1-(Nitroperoxy)-2-propen-1-one → HOCH2CHO + CO + NO3
Reaction order:   2
Reference reaction:   ·OH + 1-(Nitroperoxy)-2-propen-1-one → Products
Reference reaction order:   2
Temperature:   298 K
Rate expression:   6.4x10-1
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
Comments:   Reaction potential energy surface was studied using quantum chemistry and reaction channels were analyzed. Branching fractions were calculated using master equation.

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