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Author(s):   Song, S.; Golden, D.M.; Hanson, R.K.; Bowman, C.T.; Senosiain, J.P.; Musgrave, C.B.; Friedrichs, G.
Title:   A Shock Tube Study of the Reaction NH2 + CH4 -> NH3 + CH3 and Comparison With Transition State Theory
Journal:   Int. J. Chem. Kinet.
Volume:   35
Page(s):   304 - 309
Year:   2003
Reference type:   Journal article
Squib:   2003SON/GOL304-309

Reaction:   CH4 + NH2·CH3 + NH3
Reaction order:   2
Temperature:   300 - 2100 K
Pressure:  1.00 bar
Rate expression:   6.84x10-14 [cm3/molecule s] (T/298 K)3.01 e-41581 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   KMLYP hybrid density functional method//6-311G(d,p) plus single point energies by QCISD(T)//6-311++G(3df,2p) and CTST + WKB tunneling

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 4.02E-21
400 6.17E-19
500 1.47E-17
600 1.35E-16
700 7.06E-16
800 2.58E-15
900 7.36E-15
1000 1.76E-14
1100 3.70E-14
1200 7.01E-14
1300 1.23E-13
1400 2.02E-13
1500 3.16E-13
1600 4.73E-13
1700 6.82E-13
1800 9.54E-13
1900 1.30E-12
2000 1.73E-12
2100 2.26E-12