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Author(s):   Liu, J.; Ding, Y.; Feng, J.; Sun, C.
Title:   Theoretical Study on the Mechanism of the 1CHF+N2O Reaction
Journal:   J. Phys. Chem. A
Volume:   106
Page(s):   2695 - 2706
Year:   2002
Reference type:   Journal article
Squib:   2002LIU/DIN2695-2706

Reaction:   N2O + ·CHF → HFCNNO
Reaction order:   2
Rate expression:   0.0 [cm3/molecule s] e-56484 [J/mole]/RT
Category:  Theory
Data type:   Barrier height only calculated
Comments:   QCISD(T)/6-311G(d,p)//B3LYP/6-31G(d,p) zero-point energy corrected barrier height. Four thermodynamically accessible subsequent reaction steps in the mechanism are discussed in the paper.

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