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Author(s):   Harding, L.B.; Georgievskii, Y.; Klippenstein, S.J.
Title:   Predictive theory for hydrogen atom - HydroCarbon radical association kinetics
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   4646 - 4656
Year:   2005
Reference type:   Journal article
Squib:   2005HAR/GEO4646-4656

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

Use the Plot checkboxes to select data for plotting. Plot selected data using the "Create Plot" button. Click the squib to see extra information about a particular rate constant. Additional help is available.

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2005HAR/GEO4646-4656   ·CH3 + CH4  200 - 2000   3.21E-10   0.18       3.21E-10  2
  2005HAR/GEO4646-4656   ·C2H5 + C2H6  200 - 2000   2.25E-10   0.16       2.25E-10  2
  2005HAR/GEO4646-4656   2-C3H7 + C3H8  200 - 2000   9.67E-11   0.22       9.67E-11  2
  2005HAR/GEO4646-4656   tert-C4H9 + iso-C4H10  200 - 2000   4.26E-11   0.28       4.26E-11  2
  2005HAR/GEO4646-4656   ·C2H + C2H2  200 - 2000   2.31E-10   0.32       2.31E-10  2
  2005HAR/GEO4646-4656   C2H3 + C2H4  200 - 2000   2.02E-10   0.20       2.02E-10  2
  2005HAR/GEO4646-4656   Phenyl + Benzene  200 - 2000   1.63E-10   0.15       1.63E-10  2
  2005HAR/GEO4646-4656   1-Naphthalenyl + Naphthalene  200 - 2000   1.69E-10   0.13       1.69E-10  2
  2005HAR/GEO4646-4656   2-Naphthalenyl + Naphthalene  200 - 2000   1.42E-10   0.17       1.42E-10  2

Search returned 9 records.