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 Author(s):   Garrett, B.C.; Truhlar, D.G.
Title:   Generalized transition state theory. Canonical variational calculations using the bond energy-bond order method for bimolecular reactions of combustion products
Journal:   J. Am. Chem. Soc.
Volume:   101
Page(s):  
Year:   1979
Reference type:   Journal article
Squib:   1979GAR/TRU5207

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
  1979GAR/TRU5207   ·CH + ·Cl → ·CCl + H·  300 - 1000   1.09E-10       1.21E05      2
  1979GAR/TRU5207   ·OH + ·Cl → H· + ClO  300 - 1000   2.51E-10       2.68E05      2
  1979GAR/TRU5207   CF + Br· → C + BrF  300 - 1000   1.17E-10       2.47E05      2
  1979GAR/TRU5207   CF + H· → ·CH + ·F  300 - 1000   6.08E-11       7.89E04      2
  1979GAR/TRU5207   CF + ·F → C + F2  300 - 1000   1.06E-10       2.99E05      2
  1979GAR/TRU5207   ·CCl + C → ·CCl + C  300 - 1000   8.65E-11       3.08E04      2
  1979GAR/TRU5207   ·CCl + O· → C + ClO  300 - 1000   1.38E-10       1.33E05      2
  1979GAR/TRU5207   ·CCl + ·Cl → ·CCl + ·Cl  300 - 1000   6.28E-11       1.93E04      2
  1979GAR/TRU5207   ·CCl + ·Cl → C + Cl2  300 - 1000   1.41E-10       1.03E05      2
  1979GAR/TRU5207   Al + HCl → H· + AlCl  300 - 1000   3.29E-10       1.54E05      2
  1979GAR/TRU5207   C + HF → CF + H·  300 - 1000   4.97E-11       1.65E05      2
  1979GAR/TRU5207   HCl + ·F → ClF + H·  300 - 1000   3.54E-10       1.88E05      2
  1979GAR/TRU5207   HCl + ·Cl → Cl2 + H·  300 - 1000   4.72E-10       1.98E05      2
  1979GAR/TRU5207   HF + Br· → H· + BrF  300 - 1000   3.47E-10       3.67E05      2
  1979GAR/TRU5207   HF + ·F → F2 + H·  300 - 1000   4.04E-10       4.17E05      2
  1979GAR/TRU5207   HF + ·Cl → ClF + H·  300 - 1000   2.51E-10       3.32E05      2
  1979GAR/TRU5207   HI + I → I2 + H·  300 - 1000   1.33E-09       1.55E05      2
  1979GAR/TRU5207   HI + ·Cl → ICl + H·  300 - 1000   6.01E-10       9.73E04      2
  1979GAR/TRU5207   HBr + Br· → Br2 + H·  300 - 1000   6.77E-10       1.83E05      2
  1979GAR/TRU5207   HBr + ·F → H· + BrF  300 - 1000   3.69E-10       1.60E05      2
  1979GAR/TRU5207   Br· + OF → ·F + BrO  300 - 1000   1.24E-10       1.08E04      2
  1979GAR/TRU5207   Br· + NH → H· + NBr  300 - 1000   9.91E-11       8.65E04      2
  1979GAR/TRU5207   Br· + BrCl → Br2 + ·Cl  300 - 1000   6.13E-10       2.58E04      2
  1979GAR/TRU5207   Br· + BBr → B + Br2  300 - 1000   7.54E-11       4.06E05      2
  1979GAR/TRU5207   H· + AlCl → AlH + ·Cl  300 - 1000   7.37E-11       4.78E04      2
  1979GAR/TRU5207   H· + BF → BH + ·F  300 - 1000   9.86E-11       1.16E05      2
  1979GAR/TRU5207   H· + BCl → BH + ·Cl  300 - 1000   6.61E-11       1.04E05      2
  1979GAR/TRU5207   H· + AlBr → Al + HBr  300 - 1000   4.98E-11       7.48E04      2
  1979GAR/TRU5207   H· + AlI → Al + HI  300 - 1000   6.56E-11       9.48E04      2
  1979GAR/TRU5207   AlCl + ·Cl → Al + Cl2  300 - 1000   6.08E-11       7.62E04      2
  1979GAR/TRU5207   BF + ·F → B + F2  300 - 1000   2.62E-10       2.67E05      2
  1979GAR/TRU5207   BF + ·Cl → B + ClF  300 - 1000   5.86E-11       2.01E05      2
  1979GAR/TRU5207   BF + ·Cl → ·F + BCl  300 - 1000   1.04E-10       3.26E04      2
  1979GAR/TRU5207   IF + O· → OF + I  300 - 1000   5.58E-11       1.22E04      2
  1979GAR/TRU5207   ·F + BCl → B + ClF  300 - 1000   2.24E-10       1.64E05      2
  1979GAR/TRU5207   BCl + ·Cl → B + Cl2  300 - 1000   1.12E-10       1.85E05      2
  1979GAR/TRU5207   BCl + ·Cl → BCl + ·Cl  300 - 1000   5.53E-11       2.32E04      2
Search returned 37 records.