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Author(s):   Xu, S.C.; Zhu, R.S.; Lin, M.C.
Title:   Ab initio study of the OH+CH(2)Oreaction: The effect of the OH center dot center dot OCH2 complex on the H-abstraction kinetics
Journal:   Int. J. Chem. Kinet.
Volume:   38
Page(s):   322 - 326
Year:   2006
Reference type:   Journal article
Squib:   2006XU/ZHU322-326

Reaction:   CH2O + ·OH → HOCH2O
Reaction order:   2
Temperature:   200 - 3000 K
Rate expression:   1.13x10-13 [cm3/molecule s] (T/298 K)1.63 e-17926 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 1.23E-18
300 8.66E-17
400 8.35E-16
500 3.53E-15
600 9.75E-15
700 2.09E-14
800 3.83E-14
900 6.26E-14
1000 9.44E-14
1100 1.34E-13
1200 1.82E-13
1300 2.38E-13
1400 3.02E-13
1500 3.75E-13
1600 4.56E-13
1700 5.45E-13
1800 6.41E-13
1900 7.46E-13
2000 8.58E-13
2100 9.78E-13
2200 1.11E-12
2300 1.24E-12
2400 1.38E-12
2500 1.53E-12
2600 1.69E-12
2700 1.85E-12
2800 2.02E-12
2900 2.20E-12
3000 2.38E-12