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Author(s):   Ng, M.; Mok, D. K. W.; Lee, E. P. F.; Dyke, J. M.
Title:   Rate coefficients of the CF3CHFCF3+H CF3CFCF3+H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths
Journal:   J. Comput. Chem.
Volume:   34
Page(s):   545 - 557
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013NG/MOK545-557

Associated entries:

Search Results

Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
    2013NG/MOK545-557   CF3CHFCF3 + H· → H2 + (CF3)2CF  300 - 1500                  2
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