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Merge pull request #401 from ReactionMechanismGenerator/modify_2+2_cy…
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…clo_Cd

Added a rate rule in 2+2_cycloaddition_Cd/rules.py
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xiaoruiDong authored May 5, 2020
2 parents d67e4f4 + 284554e commit 0a09fb2
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24 changes: 24 additions & 0 deletions input/kinetics/families/2+2_cycloaddition_Cd/rules.py
Original file line number Diff line number Diff line change
Expand Up @@ -6,3 +6,27 @@
longDesc = u"""
"""

entry(
index = 1,
label = "db;doublebond",
degeneracy = 2.0,
kinetics = ArrheniusEP(
A = (1.05605e+06, 'cm^3/(mol*s)'),
n = 1.86,
alpha = 0,
E0 = (232.89994, 'kJ/mol'),
Tmin = (300, 'K'),
Tmax = (1500, 'K'),
),
rank = 0,
shortDesc = """Zalotai et al. 1983""",
longDesc = """
Kinetics fitted from reverse direction using rate of
C3H6O <=> C2H4 + CH2O, low or high pressure extrapolation with thermal excitation technique, taken from
Zalotai, L. et al, Kinetics of gas phase decomposition of oxetan and oxetan-2,2-d2, Int. J. Chem. Kinet., 15, 505, 1983
http://kinetics.nist.gov/kinetics/Detail?id=1983ZAL/HUN505:1 """
)

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