Transition State Geometries
(Home - PM7 Accuracy - Manual - Barrier Heights)
# GUI Species
1
(JSmol)
H plus C2H4 - CH3CH2 TS
2
(JSmol)
CH3 plus C2H4 - CH3CH2CH2 TS
3
(JSmol)
hc1 - Ring-opening cyclobutene TS
4
(JSmol)
hc5 - Cyclobutadiene TS
5
(JSmol)
hc4 - Pentadiene TS
6
(JSmol)
hc2 - Hexatriene to cyclohexadiene TS
7
(JSmol)
hc7 - Ethylene plus butadiene Diels-Alder TS
8
(JSmol)
hc6 - 1,5 Hexadiene TS
9
(JSmol)
hc8 - Cyclobutadiene plus ethylene TS
10
(JSmol)
hc3 - Dimethylene to cyclobuta - benzene TS
11
(JSmol)
hc10 - Cyclonona-1,4,7-triene TS
12
(JSmol)
hc9 - Two cyclopentadiene TS
13
(JSmol)
hc11 - Cycloduodeca-1,5,9-triene TS
14
(JSmol)
HCN - HNC TS
15
(JSmol)
6b Formonitrile Ylide plus acetylene TS
16
(JSmol)
6a Formonitrile Ylide plus ethylene TS
17
(JSmol)
9b Formoazomethine Ylide plus acetylene TS
18
(JSmol)
9a Formoazomethine Ylide plus ethylene TS
19
(JSmol)
H plus N2 - HN2 TS
20
(JSmol)
3b Diazomethane plus acetylene TS
21
(JSmol)
5b Formonitrile imine plus acetylene TS
22
(JSmol)
3a Diazomethane plus ethylene TS
23
(JSmol)
5a Formonitrile imine plus ethylene TS
24
(JSmol)
8b Formoazomethine imine plus acetylene TS
25
(JSmol)
8a Formoazomethine imine plus ethylene TS
26
(JSmol)
2b Hydrazoic acid plus acetylene TS
27
(JSmol)
2a Hydrazoic acid plus ethylene TS
28
(JSmol)
H plus CO - HCO TS
29
(JSmol)
OH plus CH4 - H2O plus CH3 TS
30
(JSmol)
4b Fulminic acid plus acetylene TS
31
(JSmol)
4a Fulminic acid plus ethylene TS
32
(JSmol)
7b Methylene nitrone plus acetylene TS
33
(JSmol)
7a Methylene nitrone plus ethylene TS
34
(JSmol)
N-methyl acetamide, TS, forward reaction
35
(JSmol)
N2OH TS
36
(JSmol)
1b Nitrous oxide and acetylene TS
37
(JSmol)
1a Nitrous oxide and ethylene TS
38
(JSmol)
H plus HF - HF plus H TS
39
(JSmol)
H plus FCH3 - HF plus CH3 TS
40
(JSmol)
F-CH3-OH (-) TS
41
(JSmol)
HOCH3F TS 2
42
(JSmol)
OH(-) plus CH3F - HOCH3 plus F(-) TS
43
(JSmol)
HF2 TS
44
(JSmol)
FCH3F TS 1
45
(JSmol)
EP(-) plus CH3O(-) TS
46
(JSmol)
REP(-) plus CH3O(-) TS
47
(JSmol)
HClH TS
48
(JSmol)
CH3 plus FCl - CH3F plus Cl TS
49
(JSmol)
F - CH3 - Cl(-) TS, forward reaction
50
(JSmol)
FCH3Cl TS 1
51
(JSmol)
Cl-CH3-Cl (-) TS