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Author(s):   Tiwary, A.S.; Mukherjee, A.K.
Title:   Mechanism of the CH3NH2-HNO2 reaction: Ab initio DFT/TST study
Journal:   J. Mol. Struct. Theochem
Volume:   909
Page(s):   57 - 65
Year:   2009
Reference type:   Journal article
Squib:   2009TIW/MUK57-65

Reaction:   CH3NH2 + H2O + N2O3 → cis-HONO + H2O + CH3-NH-N=O
Reaction order:   2
Temperature:   298 K
Rate expression:   2.15x10-40 [cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constant was calculated using transition state theory. The temperature is not specified in the article; it is presumed to be 298 K for this database record.

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