Author(s):   Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J.M.
Title:   The Reactions CH_nD₄_-_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:

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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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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 + ·OH → CD₃ + 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.