Uploads by Kl1713
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 17:20, 22 October 2015 | Results summary for exo product.png (file) |  |
13 KB | 1 | |
| 17:20, 22 October 2015 | Optimized exo product.mol (file) |  |
2 KB | 1 | |
| 16:55, 22 October 2015 | Maleic anhydride results summary.png (file) |  |
14 KB | 2 | |
| 16:55, 22 October 2015 | Optimized maleic anhydride structure.mol (file) | |
945 bytes | 1 | |
| 16:48, 22 October 2015 | LUMO for maleic anhydride.png (file) |  |
143 KB | 1 | |
| 16:48, 22 October 2015 | HOMO for maleic anhydride.png (file) |  |
145 KB | 1 | |
| 16:47, 22 October 2015 | LUMO for cyclohexa1,3diene.png (file) |  |
149 KB | 1 | |
| 16:47, 22 October 2015 | HOMO for cyclohexa1,3diene.png (file) |  |
153 KB | 1 | |
| 16:34, 22 October 2015 | Cyclohexa1,3diene optimized.mol (file) | |
1 KB | 1 | |
| 16:33, 22 October 2015 | Results summary for cyclohexa1,3diene.png (file) |  |
14 KB | 1 | |
| 15:18, 22 October 2015 | Animation of lowest positive frequency.gif (file) |  |
494 KB | 1 | |
| 14:44, 22 October 2015 | Labelled transition state.png (file) |  |
139 KB | 1 | |
| 14:22, 22 October 2015 | IRC graph for ethene cis buta.png (file) |  |
40 KB | 1 | |
| 14:21, 22 October 2015 | Irc for ts ethene+cisbutadiene.gif (file) |  |
740 KB | 1 | |
| 13:50, 22 October 2015 | LUMO for transition state.png (file) |  |
147 KB | 1 | |
| 13:49, 22 October 2015 | HOMO for transition state.png (file) |  |
162 KB | 1 | |
| 13:39, 22 October 2015 | LUMO for ethene.png (file) |  |
104 KB | 1 | |
| 13:39, 22 October 2015 | HOMO for ethene.png (file) |  |
96 KB | 1 | |
| 13:28, 22 October 2015 | Imaginary frequency for ethene cis butadiene.gif (file) |  |
527 KB | 2 | |
| 13:28, 22 October 2015 | Ts berny optimized structure.mol (file) | |
2 KB | Reverted to version as of 13:15, 22 October 2015 | 3 |
| 13:14, 22 October 2015 | Ts berny guess structure results summary.png (file) |  |
13 KB | 1 | |
| 17:54, 21 October 2015 | Ethene structure.mol (file) | |
631 bytes | 1 | |
| 17:53, 21 October 2015 | Ethene results summary.png (file) |  |
12 KB | 1 | |
| 17:26, 21 October 2015 | LUMO for cis butadiene.png (file) |  |
71 KB | 1 | |
| 17:26, 21 October 2015 | HOMO for cis butadiene.png (file) |  |
72 KB | 1 | |
| 17:16, 21 October 2015 | Cis butadiene am1semi.mol (file) | |
1,013 bytes | 1 | |
| 17:16, 21 October 2015 | Results summary cis butadiene.png (file) |  |
12 KB | 1 | |
| 13:13, 21 October 2015 | Irc for chair movie.gif (file) |  |
1.06 MB | 1 | |
| 13:09, 21 October 2015 | Reaction coord for chair.png (file) |  |
44 KB | 1 | |
| 12:41, 21 October 2015 | Imaginary frequency for boat.gif (file) |  |
1.18 MB | 1 | |
| 12:20, 21 October 2015 | Boat structure.mol (file) | |
2 KB | 1 | |
| 12:19, 21 October 2015 | Boat results summary.png (file) |  |
13 KB | 1 | |
| 12:12, 21 October 2015 | Labels for boat.png (file) |  |
106 KB | 1 | |
| 19:00, 20 October 2015 | Labelled TS structure.png (file) |  |
45 KB | 1 | |
| 18:37, 20 October 2015 | Structure of ts frozen coord.mol (file) | |
2 KB | 1 | |
| 18:37, 20 October 2015 | Results summary frozen coord.png (file) |  |
14 KB | 1 | |
| 18:14, 20 October 2015 | Imaginary frequency animation.gif (file) |  |
750 KB | 1 | |
| 18:04, 20 October 2015 | Ir spectrum for ts berny.png (file) |  |
15 KB | 1 | |
| 18:00, 20 October 2015 | Chair ts structure.mol (file) | |
2 KB | 1 | |
| 17:59, 20 October 2015 | Results of ts berny.png (file) |  |
13 KB | 1 | |
| 17:36, 20 October 2015 | Allyl fragment.mol (file) | |
826 bytes | 3 | |
| 17:36, 20 October 2015 | Allyl fragment results.png (file) |  |
12 KB | 1 | |
| 16:37, 20 October 2015 | Ir spectrum for anti2.png (file) |  |
15 KB | 1 | |
| 16:36, 20 October 2015 | Frequency result summary anti2.png (file) |  |
14 KB | 1 | |
| 15:35, 20 October 2015 | Labels for anti2.png (file) |  |
54 KB | 1 | |
| 15:13, 20 October 2015 | Results for B3YLP 631G(d) reopt anti 2.png (file) | _reopt_anti_2.png) |
13 KB | 1 | |
| 13:26, 20 October 2015 | Results summary gauche.png (file) |  |
12 KB | 1 | |
| 13:24, 20 October 2015 | Result summary for anti2.png (file) |  |
12 KB | 1 | |
| 13:13, 20 October 2015 | HF321G hexadiene summary.png (file) |  |
14 KB | 1 | |
| 14:35, 19 October 2015 | Gauche HF321-G opt.mol (file) | |
2 KB | 1 |
