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Author(s):   Bravo-Perez, G.; Alvarez-Idaboy, J.R.; Cruz-Torres, A.; Ruiz, M.E.
Title:   Quantum Chemical and Conventional Transition-Sate Theory Calculations of Rate Constants for the NO3 + Alkane Reaction
Journal:   J. Phys. Chem. A
Volume:   106
Page(s):   4645 - 4650
Year:   2002
Reference type:   Journal article
Squib:   2002BRA/ALV4645-4650

Reaction:   CH4 + NO3·CH3 + HNO3
Reaction order:   2
Temperature:   298 K
Rate expression:   8.12x10-11 [cm3/molecule s] e-58702 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit
Comments:   A-factor is product of tunneling factor and preexponential factor calculated using from TST.

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