Chapter 5 Molecules
If you have Java installed, you can view the 3D molecular versions of these figures by clicking on the image of the molecule.
Figure 5.2
|
|
| 1-ID Gaussian output xyz |
1-TS Gaussian output xyz |
|
|
| 2-ID Gaussian output xyz |
2-TS Gaussian output xyz |
Figure 5.4
|
|
|
| 3-ID1 xyz |
3-TS xyz |
3-ID2 xyz |
|
|
 |
| 4-ID1 xyz |
4-TS xyz |
4-ID2 xyz |
|
|
|
| 5-ID1 xyz |
5-TS xyz |
5-ID2 xyz |
Figure 5.6
|
|
 |
| 6 xyz |
7 xyz |
8 xyz |
|
|
|
| 9 xyz |
10 xyz |
11 xyz |
Figure 5.7
|
|
| 12 Gaussian output xyz |
13 Gaussian output xyz |
Figure 5.8
|
|
| 14 xyz |
15 xyz |
Figure 5.9
|
|
| 16 xyz |
17 xyz |
|
|
| 18 xyz |
19 xyz |
Figure 5.10
Figure 5.12
|
| 30 Gaussian.output xyz |
Figure 5.14
Figure 5.16
|
|
|
| 37 Gaussian.output xyz |
39 Gaussian.output xyz |
39 Gaussian.output xyz |
Figure 5.17
|
|
| 40 Gaussian.output xyz |
41 Gaussian.output xyz |
Figure 5.18
|
|
|
| 42a Gaussian.output xyz |
42b Gaussian.output xyz |
42c Gaussian.output xyz |
Figure 5.19
|
|
|
| 44a Gaussian.output xyz |
44b Gaussian.output xyz |
44c Gaussian.output xyz |
Figure 5.21
|
|
| 46ax Gaussian.output xyz |
46eq Gaussian.output xyz |
Figure 5.22
|
|
| 49anti Gaussian.output xyz |
49syn Gaussian.output xyz |
Figure 5.23
|
 |
| 50canti Gaussian.output xyz |
50csyn Gaussian.output xyz |
Figure 5.24
|
|
| 53cram xyz |
53anticram xyz |
 |
 |
| 54cram xyz |
54anticram xyz |
|
|
| 55cram xyz |
55anticram xyz |
Figure 5.26
|
|
| 66a xyz |
66b xyz |
Figure 5.27
|
|
| 67a xyz |
67b xyz |
|
|
| 67c xyz |
67d xyz |
Figure 5.28
|
|
| 68a xyz |
68b xyz |
|
|
| 68c xyz |
68d xyz |
|
|
| 70a xyz |
70b xyz |
 |
|
| 70c xyz |
70d xyz |
Figure 5.29
|
|
| 72a xyz |
72b xyz |
Figure 5.30
|
|
| 73a xyz |
73b xyz |
Figure 5.31
|
|
 |
| 78a xyz |
78b xyz |
78b xyz |
|
|
|
| 78d xyz |
78e xyz |
78f xyz |
|
||
| 78g xyz |
Figure 5.32
|
|
|
| 79 xyz |
80 xyz |
82 xyz |