Uploads by Jg1208
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 23:21, 20 February 2012 | Jg regio op1 am1 berny jmol.mol (file) |  |
2 KB | 1 | |
| 23:21, 20 February 2012 | Jg regio op1 am1 berny ir -812.gif (file) |  |
668 KB | 1 | |
| 23:21, 20 February 2012 | Jg regio opt am1 berny MO list.PNG (file) |  |
3 KB | 1 | |
| 23:21, 20 February 2012 | Jg regio opt am1 berny LUMO mesh.PNG (file) |  |
173 KB | 1 | |
| 23:21, 20 February 2012 | Jg regio opt am1 berny HOMO mesh.PNG (file) |  |
175 KB | 1 | |
| 23:21, 20 February 2012 | Jg regio opt am1 berny output summary.PNG (file) |  |
32 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny jmol.mol (file) | |
2 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny ir 806.gif (file) |  |
699 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny MO LUMO mesh.PNG (file) |  |
144 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny MO HOMO mesh.PNG (file) |  |
156 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny MO MOlist.PNG (file) |  |
4 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny structure labelled.PNG (file) |  |
36 KB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny output log.out (file) | |
1.22 MB | 1 | |
| 22:19, 20 February 2012 | Jg endo opt am1 berny summary.PNG (file) |  |
10 KB | 1 | |
| 20:28, 20 February 2012 | Jg da ts guess output jmol.mol (file) | |
2 KB | 2 | |
| 20:28, 20 February 2012 | Jg ts ir -956.gif (file) |  |
496 KB | 2 | |
| 20:28, 20 February 2012 | Jg da ts guess output finalstructure.PNG (file) |  |
22 KB | 2 | |
| 04:27, 20 February 2012 | Jg ethylene am1 MOs tableofenergies.PNG (file) |  |
3 KB | 1 | |
| 04:27, 20 February 2012 | Jg cis butadiene am1 tableofenergies.PNG (file) |  |
5 KB | 1 | |
| 04:24, 20 February 2012 | Jg ethylene MO.png (file) |  |
40 KB | 1 | |
| 04:24, 20 February 2012 | Jg butadiene MO.png (file) |  |
49 KB | 1 | |
| 00:47, 20 February 2012 | Jg chair ts redundant thermochemistry.PNG (file) |  |
23 KB | 2 | |
| 00:47, 20 February 2012 | Jg chair dft thermochemistry200k.PNG (file) |  |
23 KB | 2 | |
| 16:24, 19 February 2012 | Jg chair dft energies.PNG (file) |  |
14 KB | 2 | |
| 16:24, 19 February 2012 | Jg boat dft energies.PNG (file) |  |
14 KB | 2 | |
| 15:52, 19 February 2012 | Jg boat qst2 properone opt outputlog.out (file) | |
1.04 MB | 1 | |
| 15:02, 19 February 2012 | Jg boat dft log.out (file) | |
213 KB | 1 | |
| 14:59, 19 February 2012 | Jg boat dft ir 530.gif (file) |  |
1.32 MB | 1 | |
| 14:59, 19 February 2012 | Jg boat dft jmol.mol (file) | |
2 KB | 1 | |
| 14:59, 19 February 2012 | Jg boat dft summary.PNG (file) |  |
11 KB | 1 | |
| 14:59, 19 February 2012 | Jg boat dft structure.PNG (file) |  |
60 KB | 1 | |
| 14:42, 19 February 2012 | Jg boat irc method1 movie.gif (file) |  |
421 KB | 2 | |
| 14:36, 19 February 2012 | Jg gauche3 pic.png (file) |  |
15 KB | 1 | |
| 13:50, 19 February 2012 | Jg boat irc meth2 real.png (file) |  |
5 KB | 1 | |
| 13:30, 19 February 2012 | Jg boat irc meth3.png (file) |  |
18 KB | 1 | |
| 11:58, 18 February 2012 | Jg boat irc method2 gradient curve.PNG (file) |  |
24 KB | 1 | |
| 11:58, 18 February 2012 | Jg boat irc method2 energy curve.PNG (file) |  |
22 KB | 1 | |
| 11:57, 18 February 2012 | Jg boat irc method2 laststep summary.PNG (file) |  |
11 KB | 1 | |
| 11:57, 18 February 2012 | Jg boat irc method2 laststep.PNG (file) |  |
46 KB | 1 | |
| 11:57, 18 February 2012 | Jg boat irc method2 movie.mol (file) | |
2 KB | 1 | |
| 11:57, 18 February 2012 | Jg boat irc method2 log.out (file) | |
881 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 firststructure.PNG (file) |  |
38 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 energy curve.PNG (file) |  |
17 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 jmol.mol (file) | |
2 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 laststructure.PNG (file) |  |
49 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 gradient curve.PNG (file) |  |
22 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 structure.PNG (file) |  |
55 KB | 1 | |
| 11:20, 18 February 2012 | Jg boat irc method1 summary.PNG (file) |  |
11 KB | 1 | |
| 10:34, 18 February 2012 | Jg boat irc laststep structure.PNG (file) |  |
18 KB | 1 | |
| 10:32, 18 February 2012 | Jg boat irc energy curve.PNG (file) |  |
19 KB | 1 |
