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Author(s):   Wang, L.; Liu, J.Y.; Li, Z.S.
Title:   Ab initio direct dynamics studies on the hydrogen abstraction reactions of CF2H2 and CF3H with F atom
Journal:   Chem. Phys.
Volume:   351
Page(s):   154 - 158
Year:   2008
Reference type:   Journal article
Squib:   2008WAN/LIU154-158

Reaction:   CHF3 + ·F·CHF2 + HF
Reaction order:   2
Temperature:   182 - 2000 K
Rate expression:   5.34x10-13 [cm3/molecule s] (T/298 K)2.69 e-4141 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
182 9.19E-15
200 1.51E-14
300 1.03E-13
400 3.39E-13
500 7.94E-13
600 1.53E-12
700 2.61E-12
800 4.08E-12
900 6.00E-12
1000 8.43E-12
1100 1.14E-11
1200 1.50E-11
1300 1.91E-11
1400 2.40E-11
1500 2.96E-11
1600 3.60E-11
1700 4.31E-11
1800 5.11E-11
1900 6.00E-11
2000 6.97E-11