Uploads by Eo308
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:46, 17 December 2010 | HH interactions gauche.png (file) |  |
39 KB | 1 | |
| 14:46, 17 December 2010 | HH interactions anti.png (file) |  |
37 KB | 1 | |
| 12:49, 17 December 2010 | ENDO TS.mol (file) |  |
2 KB | 1 | |
| 11:47, 17 December 2010 | C-C distance for exo.png (file) |  |
35 KB | 1 | |
| 11:21, 17 December 2010 | C-C distance for endo.png (file) |  |
52 KB | 1 | |
| 10:59, 17 December 2010 | Endo ts initial guess.mol (file) | |
2 KB | 1 | |
| 10:26, 17 December 2010 | ENDO HOMO view 1.png (file) |  |
99 KB | 1 | |
| 10:26, 17 December 2010 | ENDO HOMO view 2.png (file) |  |
95 KB | 1 | |
| 10:05, 17 December 2010 | Endo ts low freq.png (file) |  |
3 KB | 1 | |
| 10:03, 17 December 2010 | Butadiene and ethylene LUMO.png (file) |  |
87 KB | 3 | |
| 19:15, 16 December 2010 | ENDO vibration.png (file) |  |
36 KB | 1 | |
| 16:52, 16 December 2010 | ENDO low modes.png (file) |  |
6 KB | 1 | |
| 16:43, 16 December 2010 | Geometry labelling exo.png (file) |  |
45 KB | 1 | |
| 16:18, 16 December 2010 | Geometry labelling endo.png (file) |  |
43 KB | 1 | |
| 15:55, 16 December 2010 | ENDO results summary.png (file) |  |
8 KB | 1 | |
| 15:50, 16 December 2010 | ENDO TS OPTIMISATION.LOG (file) | |
341 KB | 1 | |
| 15:40, 16 December 2010 | Endo ts initial opt.mol (file) | |
2 KB | 1 | |
| 15:38, 16 December 2010 | ENDOCYCLO ANHYDRIDE TS OPT.LOG (file) | |
839 KB | 1 | |
| 15:28, 16 December 2010 | EXO HOMO view 2.png (file) |  |
131 KB | 2 | |
| 15:27, 16 December 2010 | EXO HOMO view 1.png (file) |  |
127 KB | 1 | |
| 15:21, 16 December 2010 | Exo vibration.png (file) |  |
29 KB | 1 | |
| 15:16, 16 December 2010 | EXO low modes.png (file) |  |
6 KB | 1 | |
| 15:16, 16 December 2010 | Exo ts low freq.png (file) |  |
3 KB | 1 | |
| 14:51, 16 December 2010 | EXO results summary.png (file) |  |
9 KB | 1 | |
| 14:48, 16 December 2010 | EXO TS OPTIMISATION NEW.LOG (file) | |
871 KB | 1 | |
| 14:43, 16 December 2010 | Initial EXO TS.mol (file) | |
2 KB | 1 | |
| 14:41, 16 December 2010 | CYCLO ANHYDRIDE TS EXO OPT.LOG (file) | |
581 KB | 1 | |
| 14:38, 16 December 2010 | Regio TS guess exo.mol (file) | |
2 KB | 1 | |
| 14:33, 16 December 2010 | MAopt.mol (file) | |
946 bytes | 1 | |
| 14:31, 16 December 2010 | MA results summary.png (file) |  |
8 KB | 1 | |
| 14:20, 16 December 2010 | Regioselectivity reaction scheme.png (file) |  |
5 KB | 1 | |
| 11:59, 16 December 2010 | Geometry labelling DFT anti2.png (file) |  |
31 KB | 1 | |
| 11:59, 16 December 2010 | Geometry labelling HF anti2.png (file) |  |
34 KB | 1 | |
| 11:52, 16 December 2010 | React ci anti2 summary.png (file) |  |
7 KB | 3 | |
| 10:48, 15 December 2010 | Low positive mode view 2.png (file) |  |
27 KB | 1 | |
| 10:40, 15 December 2010 | Low positive mode view 1.png (file) |  |
28 KB | 1 | |
| 10:28, 15 December 2010 | DA vibration view 2.png (file) |  |
18 KB | 1 | |
| 10:28, 15 December 2010 | DA vibration view 1.png (file) |  |
21 KB | 1 | |
| 10:24, 15 December 2010 | IR of DA TS.png (file) |  |
36 KB | 1 | |
| 10:24, 15 December 2010 | Vibrational modes for DA.png (file) |  |
6 KB | 1 | |
| 10:10, 15 December 2010 | DA TS low frew.png (file) |  |
3 KB | 1 | |
| 10:06, 15 December 2010 | DATS 2BL BONDDERIV OPTFREQ.LOG (file) | |
242 KB | 1 | |
| 09:39, 15 December 2010 | Chair IRC method 3.mol (file) | |
2 KB | 2 | |
| 09:38, 15 December 2010 | Chair IRC method 1.mol (file) | |
2 KB | 2 | |
| 09:38, 15 December 2010 | Chair IRC method 2.mol (file) | |
2 KB | 1 | |
| 09:38, 15 December 2010 | Chair IRC method 4.mol (file) | |
2 KB | 1 | |
| 09:30, 15 December 2010 | IRC method 4 summary.png (file) |  |
8 KB | 1 | |
| 09:29, 15 December 2010 | Total energy and RMS for IRC method 3.png (file) |  |
28 KB | 1 | |
| 09:29, 15 December 2010 | IRC method 3 summary.png (file) |  |
9 KB | 1 | |
| 09:28, 15 December 2010 | IRC method 2 summary.png (file) |  |
9 KB | 1 |
