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Accessibility information
Author(s):   Albu, T.V.; Swaminathan, S.
Title:   Hybrid density functional theory with a specific reaction parameter: hydrogen abstraction reaction of difluoromethane by the hydroxyl radical
Journal:   J. Mol. Modeling
Volume:   13
Page(s):   1109 - 1121
Year:   2007
Reference type:   Journal article
Squib:   2007ALB/SWA1109-1121

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

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
    2007ALB/SWA1109-1121   CH2F2 + ·OH → ·CHF2 + H2O  200 - 1500               0.00E00  2
Search returned 1 records.