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Author(s):   Cimas, A.; Aschi, M.; Barrientos, C.; Rayon, V.M.; Sordo, J.A.; Largo, A.
Title:   Computational study on the kinetics of the reaction of N(4S) with CH2F
Journal:   Chem. Phys. Lett.
Volume:   374
Page(s):   594 - 600
Year:   2003
Reference type:   Journal article
Squib:   2003CIM/ASC594-600

Reaction:   ·CH2F + N + HFCN
Reaction order:   2
Reference reaction:   ·CH2F + N → Products
Reference reaction order:   2
Temperature:   300 K
Rate expression:   7.49x10-1
Category:  Theory
Data type:   Transition state theory
Comments:   PES of the reaction was studied using quantum chemical methods and the rate constants of four channels were calculated using TST. Individual channel-specific rate constant values and temperature dependences were not reported in a numerical form but shown on plots. Branching fractions are given as functions of temperature in tabular format.

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