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Author(s):   Bottoni, A.
Title:   Theoretical study of the hydrogen and chlorine abstraction from chloromethanes by silyl and trichlorosilyl radicals: A comparison between the Hartree-Fock method, perturbation theory, and density functional theory
Journal:   J. Phys. Chem. A
Volume:   102
Page(s):   10142 - 10150
Year:   1998
Reference type:   Journal article
Squib:   1998BOT10142-10150

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.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
    1998BOT10142-10150   CH3Cl + SiH3·CH3 + SiH3Cl                     2
    1998BOT10142-10150   CH2Cl2 + SiH3 → Products                     2
    1998BOT10142-10150   CHCl3 + SiH3 → Products                     2
    1998BOT10142-10150   CH3Cl + SiCl3·CH3 + SiCl4                     2
    1998BOT10142-10150   CH2Cl2 + SiCl3 → Products                     2
    1998BOT10142-10150   CHCl3 + SiCl3 → Products                     2

Search returned 6 records.