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Author(s):   Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J.M.
Title:   The Reactions CHnD4-n + OH -> P and CH4 + HOD -> CH3 + HOD as a Test of Current Direct Dynamics Multicoefficient Methods to Determine Variational Transition State Rate constants. II
Journal:   J. Chem. Phys.
Volume:   115
Page(s):   4515 - 4526
Year:   2001
Reference type:   Journal article
Squib:   2001MAS/GON4515-4526

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
  2001MAS/GON4515-4526   CH4 + ·OH·CH3 + H2O  200 - 1500   3.67E-13   2.30   1.15E04   3.58E-15  2
  2001MAS/GON4515-4526   CH3D + ·OH → Products  200 - 1500   3.68E-13   2.32   1.19E04   3.04E-15  2
  2001MAS/GON4515-4526   CH2D2 + ·OH → Products  200 - 1500   3.11E-13   2.36   1.22E04   2.24E-15  2
  2001MAS/GON4515-4526   CHD3 + ·OH → Products  200 - 1500   3.07E-13   2.37   1.28E04   1.75E-15  2
  2001MAS/GON4515-4526   CD4 + ·OHCD3 + HDO  200 - 1500   2.88E-13   2.45   1.31E04   1.44E-15  2
  2001MAS/GON4515-4526   CH4 + OD·CH3 + HDO  200 - 1500   3.19E-13   2.39   1.06E04   4.50E-15  2

Search returned 6 records.