Weizmann W411 BDE 99
--------------------
References
^^^^^^^^^^
| doi: https://doi.org/10.1016/j.cplett.2011.05.007

Molecules
^^^^^^^^^
t-n2h2
cloo
ch2ch
hocl
no2
clo
formic
propyne
ch3f
t-hono
clcn
foof
ssh
ch3nh
c2h6
ch2nh
c2h4
c2h2
nccn
propene
t-hcoh
o3
o2
h
ketene
co2
hnnn
n2h4
hcn
hco
cf2
c
fo2
oh
of
f2o
so
o
s
hccf
t-hooo
f2co
ch
co
cn
cl
cf
hooh
cs
glyoxal
cl2o
ch3nh2
hs
b2h6
so3
so2
nh3
nh2
ch2-trip
h2co
p2
p4
f
c2h3f
n
ch3
ch4
ch2nh2
n2h
n2o
hnco
hcnh
hno
hcno
oclo
s4-c2v
hof
honc
no
s3
s2
s2o
methanol
allene
ch2c
nh
hcof
acetaldehyde
bh3
hnc
h2s
h2o
nh2cl
cch
hoo
n2
cs2

Reactions
^^^^^^^^^
| 1: foof -> f + fo2 (1:foof >1:f,1:fo2), energy = 0.02812706537435521
| 2: foof -> 2of (1:foof >2:of), energy = 0.07365625844774493
| 3: oclo -> o + clo (1:oclo >1:o,1:clo), energy = 0.09987100209693152
| 4: cloo -> clo + o (1:cloo >1:clo,1:o), energy = 0.0971140716098134
| 5: cloo -> cl + o2 (1:cloo >1:cl,1:o2), energy = 0.008860423993281302
| 6: fo2 -> of + o (1:fo2 >1:of,1:o), energy = 0.13011755738334863
| 7: fo2 -> f + o2 (1:fo2 >1:f,1:o2), energy = 0.022151059983203256
| 8: cl2o -> clo + cl (1:cl2o >1:clo,1:cl), energy = 0.05738558776943519
| 9: f2o -> of + f (1:f2o >1:of,1:f), energy = 0.06485957851196925
| 10: hocl -> h + clo (1:hocl >1:h,1:clo), energy = 0.1606031528854118
| 11: hocl -> oh + cl (1:hocl >1:oh,1:cl), energy = 0.09405435684954361
| 12: hof -> h + of (1:hof >1:h,1:of), energy = 0.1682524397860863
| 13: hof -> oh + f (1:hof >1:oh,1:f), energy = 0.08199079396660486
| 14: no2 -> no + o (1:no2 >1:no,1:o), energy = 0.11974321202430882
| 15: n2o -> no + n (1:n2o >1:no,1:n), energy = 0.18820432978534563
| 16: n2o -> n2 + o (1:n2o >1:n2,1:o), energy = 0.06750495689845251
| 17: t-hono -> h + no2 (1:t-hono >1:h,1:no2), energy = 0.13508959386878705
| 18: t-hono -> oh + no (1:t-hono >1:oh,1:no), energy = 0.08398279576365551
| 19: hnc -> h + cn (1:hnc >1:h,1:cn), energy = 0.18621232798829498
| 20: hnc -> nh + c (1:hnc >1:nh,1:c), energy = 0.3427996052508527
| 21: honc -> oh + cn (1:honc >1:oh,1:cn), energy = 0.09814991254427975
| 22: hnco -> nh + co (1:hnco >1:nh,1:co), energy = 0.14646790813354038
| 23: hcno -> ch + no (1:hcno >1:ch,1:no), energy = 0.2039969200323632
| 24: hno -> h + no (1:hno >1:h,1:no), energy = 0.08468398039621734
| 25: hno -> nh + o (1:hno >1:nh,1:o), energy = 0.1956783205278797
| 26: methanol -> ch3 + oh (1:methanol >1:ch3,1:oh), energy = 0.15684225349258019
| 27: t-hcoh -> ch + oh (1:t-hcoh >1:ch,1:oh), energy = 0.20884146840279041
| 28: t-hcoh -> hco + h (1:t-hcoh >1:hco,1:h), energy = 0.06860454189042446
| 29: formic -> hco + oh (1:formic >1:hco,1:oh), energy = 0.18369443771682295
| 30: ketene -> ch2c + o (1:ketene >1:ch2c,1:o), energy = 0.2765376574737598
| 31: ketene -> ch2-trip + co (1:ketene >1:ch2-trip,1:co), energy = 0.1322529833097869
| 32: glyoxal -> 2hco (1:glyoxal >2:hco), energy = 0.12152804563446622
| 33: acetaldehyde -> ch3 + hco (1:acetaldehyde >1:ch3,1:hco), energy = 0.14433248220710207
| 34: f2co -> cf2 + o (1:f2co >1:cf2,1:o), energy = 0.2579243926821185
| 35: hcof -> hco + f (1:hcof >1:hco,1:f), energy = 0.19811653072746968
| 36: h2co -> hco + h (1:h2co >1:hco,1:h), energy = 0.1517746009208833
| 37: h2co -> ch2-trip + o (1:h2co >1:ch2-trip,1:o), energy = 0.2930792403964684
| 38: hco -> h + co (1:hco >1:h,1:co), energy = 0.03137801230714188
| 39: hco -> ch + o (1:hco >1:ch,1:o), energy = 0.31107100062742987
| 40: cs2 -> cs + s (1:cs2 >1:cs,1:s), energy = 0.17300137207025507
| 41: co2 -> co + o (1:co2 >1:co,1:o), energy = 0.20782156348270045
| 42: ch2nh2 -> ch2-trip + nh2 (1:ch2nh2 >1:ch2-trip,1:nh2), energy = 0.17360694061655846
| 43: ch2nh2 -> ch2nh + h (1:ch2nh2 >1:ch2nh,1:h), energy = 0.06825394957414355
| 44: ch3nh -> ch3 + nh (1:ch3nh >1:ch3,1:nh), energy = 0.13332069627300605
| 45: ch3nh -> ch2nh + h (1:ch3nh >1:ch2nh,1:h), energy = 0.05607883459056996
| 46: ch3nh2 -> ch2nh2 + h (1:ch3nh2 >1:ch2nh2,1:h), energy = 0.15940795180718142
| 47: ch3nh2 -> ch3nh + h (1:ch3nh2 >1:ch3nh,1:h), energy = 0.171583066790755
| 48: ch2nh -> hcnh + h (1:ch2nh >1:hcnh,1:h), energy = 0.16444373235012547
| 49: hcnh -> nh + ch (1:hcnh >1:nh,1:ch), energy = 0.2692070908606134
| 50: hcnh -> hcn + h (1:hcnh >1:hcn,1:h), energy = 0.03638192082133311
| 51: hcn -> cn + h (1:hcn >1:cn,1:h), energy = 0.21046694186918372
| 52: hcn -> ch + n (1:hcn >1:ch,1:n), energy = 0.3652534495072076
| 53: nccn -> 2cn (1:nccn >2:cn), energy = 0.22205242432083033
| 54: h2s -> hs + h (1:h2s >1:hs,1:h), energy = 0.15327258627226542
| 55: t-hooo -> hoo + o (1:t-hooo >1:hoo,1:o), energy = 0.09204641903811654
| 56: t-hooo -> oh + o2 (1:t-hooo >1:oh,1:o2), energy = 0.00839827957636555
| 57: t-hooo -> h + o3 (1:t-hooo >1:h,1:o3), energy = 0.13684255545019164
| 58: o3 -> o2 + o (1:o3 >1:o2,1:o), energy = 0.04238979824123788
| 59: hooh -> hoo + h (1:hooh >1:hoo,1:h), energy = 0.14909735050564724
| 60: hooh -> 2oh (1:hooh >2:oh), energy = 0.08712219059580734
| 61: ssh -> hs + s (1:ssh >1:hs,1:s), energy = 0.12334475127337641
| 62: ssh -> s2 + h (1:ssh >1:s2,1:h), energy = 0.09701845552355498
| 63: hoo -> oh + o (1:hoo >1:oh,1:o), energy = 0.10889078623397687
| 64: hoo -> o2 + h (1:hoo >1:o2,1:h), energy = 0.08718593465331295
| 65: h2o -> oh + h (1:h2o >1:oh,1:h), energy = 0.20042725281204843
| 66: hnnn -> n2 + nh (1:hnnn >1:n2,1:nh), energy = 0.03219074904033854
| 67: n2h4 -> 2nh2 (1:n2h4 >2:nh2), energy = 0.11649226509152215
| 68: t-n2h2 -> 2nh (1:t-n2h2 >2:nh), energy = 0.20771001138206563
| 69: n2h -> nh + n (1:n2h >1:nh,1:n), energy = 0.22592487581429682
| 70: nh2cl -> nh2 + cl (1:nh2cl >1:nh2,1:cl), energy = 0.10433308612232498
| 71: nh3 -> nh2 + h (1:nh3 >1:nh2,1:h), energy = 0.18394941394684547
| 72: nh2 -> nh + h (1:nh2 >1:nh,1:h), energy = 0.15856334304523192
| 73: allene -> ch2c + ch2-trip (1:allene >1:ch2c,1:ch2-trip), energy = 0.24449033256280886
| 74: propyne -> cch + ch3 (1:propyne >1:cch,1:ch3), energy = 0.20967014115036348
| 75: propene -> ch2ch + ch3 (1:propene >1:ch2ch,1:ch3), energy = 0.17151932273324938
| 76: c2h3f -> ch2ch + f (1:c2h3f >1:ch2ch,1:f), energy = 0.20367819974483511
| 77: c2h6 -> 2ch3 (1:c2h6 >2:ch3), energy = 0.15512116393992842
| 78: c2h4 -> 2ch2-trip (1:c2h4 >2:ch2-trip), energy = 0.29100755852753574
| 79: ch2ch -> ch2c + h (1:ch2ch >1:ch2c,1:h), energy = 0.13728876385273098
| 80: ch2ch -> c2h2 + h (1:ch2ch >1:c2h2,1:h), energy = 0.06463647431069958
| 81: ch2c -> ch2-trip + c (1:ch2c >1:ch2-trip,1:c), energy = 0.2696214272343999
| 82: hccf -> cch + f (1:hccf >1:cch,1:f), energy = 0.21084940621421747
| 83: hccf -> ch + cf (1:hccf >1:ch,1:cf), energy = 0.28928646897488397
| 84: c2h2 -> cch + h (1:c2h2 >1:cch,1:h), energy = 0.22208429634958315
| 85: c2h2 -> 2ch (1:c2h2 >2:ch), energy = 0.37781102883581497
| 86: ch3f -> ch3 + f (1:ch3f >1:ch3,1:f), energy = 0.18340758945804767
| 87: ch4 -> ch3 + h (1:ch4 >1:ch3,1:h), energy = 0.17935984180644074
| 88: ch3 -> ch2-trip + h (1:ch3 >1:ch2-trip,1:h), energy = 0.18665853639083432
| 89: ch2-trip -> ch + h (1:ch2-trip >1:ch,1:h), energy = 0.16975042513746838
| 90: cf2 -> cf + f (1:cf2 >1:cf,1:f), energy = 0.2008893972289642
| 91: clcn -> cn + cl (1:clcn >1:cn,1:cl), energy = 0.16589390965837833
| 92: b2h6 -> 2bh3 (1:b2h6 >2:bh3), energy = 0.07083558390312121
| 93: s2o -> s2 + o (1:s2o >1:s2,1:o), energy = 0.16657915827656375
| 94: s2o -> s + so (1:s2o >1:s,1:so), energy = 0.13118527034656777
| 95: so3 -> so2 + o (1:so3 >1:so2,1:o), energy = 0.13755967609712985
| 96: so2 -> so + o (1:so2 >1:so,1:o), energy = 0.21379756887385243
| 97: s4-c2v -> s3 + s (1:s4-c2v >1:s3,1:s), energy = 0.10514582285552164
| 98: s4-c2v -> 2s2 (1:s4-c2v >2:s2), energy = 0.041194597163007496
| 99: p4 -> 2p2 (1:p4 >2:p2), energy = 0.08826958363090852