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Accessibility information
Author(s):   Sun, H.;Tang, Y.Z.;Wang, Z.L.;Pan, X.M.;Li, Z.S.;Wang, R.S.
Title:   DFT study on the mechanisms of the CH2CO + NCX (X = O, S) reactions
Journal:   J. Mol. Struct. Theochem
Volume:   757
Page(s):   143 - 148
Year:   2005
Reference type:   Journal article
Squib:   2005SUN/TAN143-148

Associated entries:

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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
    2005SUN/TAN143-148   H2C=C=O + NCOHN=C=O + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → HC-N=O + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCOHO-C≡N + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → CH2NCO + CO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → CH2OCN + CO                     2
    2005SUN/TAN143-148   H2C=C=O + SCNCHNS + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → HSCN + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → HNCS + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → CH2NCS + CO                     2
    2005SUN/TAN143-148   H2C=C=O + SCNCOS + CH2CN                     2

Search returned 10 records.