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Author(s):   Grimme, S.;Muck-Lichtenfeld, C.;Wurthwein, E.U.;Ehlers, A.W.;Goumans, T.PM.;Lammertsma, K.
Title:   Consistent theoretical description of 1,3-dipolar cycloaddition reactions
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   2583 - 2586
Year:   2006
Reference type:   Journal article
Squib:   2006GRI/MUC2583-2586

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
    2006GRI/MUC2583-2586   C2H4 + N2O → cy-N=NOCH2CH2                     2
    2006GRI/MUC2583-2586   C2H4 + HN3 → cy-N=NNHCH2CH2                     2
    2006GRI/MUC2583-2586   C2H4 + CH2N23H-Pyrazole, 4,5-dihydro-                     2
    2006GRI/MUC2583-2586   C2H4 + HC-N=O → cy-CH=NOCH2CH2                     2
    2006GRI/MUC2583-2586   HCNNH + C2H42-Pyrazoline                     2
    2006GRI/MUC2583-2586   C2H4 + HCNCH22H-Pyrrole, 3,4-dihydro-                     2
    2006GRI/MUC2583-2586   CH2NHO + C2H4Isoxazolidine                     2
    2006GRI/MUC2583-2586   CH2=NH=NH + C2H4Pyrazolidine                     2
    2006GRI/MUC2583-2586   CH2=NH=CH2 + C2H4Pyrrolidine                     2
    2006GRI/MUC2583-2586   C2H2 + N2O → cy-N=NOCH=CH                     2
    2006GRI/MUC2583-2586   C2H2 + HN31H-1,2,3-Triazole                     2
    2006GRI/MUC2583-2586   C2H2 + CH2N2 → cy-N=N-CH2CH=CH                     2
    2006GRI/MUC2583-2586   C2H2 + HC-N=O → Isooxazole                     2
    2006GRI/MUC2583-2586   HCNNH + C2H2Pyrazole                     2
    2006GRI/MUC2583-2586   C2H2 + HCNCH2 → cy-CH=NCH2CH=CH                     2
    2006GRI/MUC2583-2586   CH2NHO + C2H2 → cy-CH2NHOCH=CH                     2
    2006GRI/MUC2583-2586   CH2=NH=NH + C2H2 → cy-CH2NHNHCH=CH                     2
    2006GRI/MUC2583-2586   CH2=NH=CH2 + C2H21H-Pyrrole, 2,5-dihydro-                     2

Search returned 18 records.