Uploads by Jo1213
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 19:27, 17 December 2015 | JOH EXO IRC HF.LOG (file) |  |
364 KB | 1 | |
| 19:26, 17 December 2015 | JOH RMS gradient exo.png (file) |  |
1.15 MB | 1 | |
| 19:22, 17 December 2015 | JOH ENDO IRC 50 STEPS.LOG (file) | |
374 KB | 1 | |
| 19:21, 17 December 2015 | JOH RMS gradient endo.png (file) |  |
1.26 MB | 1 | |
| 19:18, 17 December 2015 | JOH Total energy endo.png (file) |  |
1.26 MB | 1 | |
| 18:32, 17 December 2015 | JOH exo HOMO.png (file) |  |
3.93 MB | 1 | |
| 18:32, 17 December 2015 | JOH exo LUMO.png (file) |  |
2.5 MB | 1 | |
| 18:30, 17 December 2015 | JOH endo HOMO.png (file) |  |
3.88 MB | 1 | |
| 18:28, 17 December 2015 | JOH endo LUMO.png (file) |  |
3.65 MB | 1 | |
| 18:17, 17 December 2015 | JOH labelled transition state.png (file) |  |
166 KB | 1 | |
| 17:45, 17 December 2015 | DA IRC AM1 100 STEPS.LOG (file) | |
252 KB | 1 | |
| 17:44, 17 December 2015 | DA IRC 100 STEPS.LOG (file) | |
770 KB | 1 | |
| 17:19, 17 December 2015 | JOH guess structure.png (file) |  |
3 KB | 1 | |
| 17:11, 17 December 2015 | JOH DA mechanism.png (file) |  |
7 KB | 1 | |
| 16:58, 17 December 2015 | JOH LUMO ethylene.png (file) |  |
3.34 MB | 1 | |
| 16:58, 17 December 2015 | JOH HOMO ethylene.png (file) |  |
2.63 MB | 1 | |
| 16:49, 17 December 2015 | JOH ETHYLENE OPT AM1.LOG (file) | |
67 KB | 1 | |
| 15:58, 17 December 2015 | JOH CHAIR IRC.LOG (file) | |
464 KB | 1 | |
| 15:52, 17 December 2015 | JOH local minimum energy.png (file) |  |
97 KB | 1 | |
| 14:56, 17 December 2015 | JOH second attempt r and p.PNG (file) |  |
271 KB | 1 | |
| 14:53, 17 December 2015 | JOH first attempt r and pv2.PNG (file) |  |
282 KB | 1 | |
| 22:47, 16 December 2015 | Exo.LOG (file) | |
2.52 MB | 1 | |
| 22:44, 16 December 2015 | ENDO OST2 3.LOG (file) | |
1.8 MB | 1 | |
| 22:42, 16 December 2015 | Ma LUMO.png (file) |  |
4.83 MB | 1 | |
| 22:41, 16 December 2015 | Ma HOMO.png (file) |  |
4.7 MB | 1 | |
| 22:40, 16 December 2015 | JOH cyclo LUMO.png (file) |  |
5.2 MB | 1 | |
| 22:38, 16 December 2015 | JOH cyclo HOMO.png (file) |  |
4.37 MB | 1 | |
| 21:54, 16 December 2015 | JOH RMS Gradient Norm along IRC.png (file) |  |
1.25 MB | 1 | |
| 21:53, 16 December 2015 | JOH Total Energy along IRC.png (file) |  |
1.25 MB | 1 | |
| 21:51, 16 December 2015 | JOH AM1 RMS Gradient Norm along IRC.png (file) |  |
1,023 KB | 1 | |
| 21:49, 16 December 2015 | JOH AM1 Total Enrgy along IRC.png (file) |  |
1 MB | 1 | |
| 21:35, 16 December 2015 | JOH HOMO.png (file) |  |
3.34 MB | 1 | |
| 21:34, 16 December 2015 | JOH LUMO.png (file) |  |
3.14 MB | JOH Lumo | 1 |
| 20:48, 16 December 2015 | DA TS OPT FRE HF 3 21G.LOG (file) | |
574 KB | 1 | |
| 20:44, 16 December 2015 | DA TS OPT FRE AM1.LOG (file) | |
597 KB | 1 | |
| 20:32, 16 December 2015 | HOMO cis butadiene.jpg (file) |  |
3.08 MB | 3 | |
| 20:30, 16 December 2015 | LUMO cis butadiene.jpg (file) |  |
3.83 MB | 1 | |
| 20:14, 16 December 2015 | CIS BUTADIENE AM1.LOG (file) | |
89 KB | JOH cis butadiene AM1 | 2 |
| 19:45, 16 December 2015 | BOAT DFT 6-31 D.LOG (file) | |
258 KB | JOH boat DFT/6-31* | 1 |
| 19:41, 16 December 2015 | CHAIR DFT 6-31 D BERNY.LOG (file) | |
211 KB | JOH CHAIR_DFT_6-31_D_BERNY | 1 |
| 19:25, 16 December 2015 | RMS Gradient Norm along IRC.png (file) |  |
1.06 MB | JOH RMS Gradient Norm along IRC | 2 |
| 19:24, 16 December 2015 | Total energy along IRC.png (file) |  |
1.07 MB | JOH Total energy along IRC | 1 |
| 19:20, 16 December 2015 | IRC plot 2.png (file) |  |
1.68 MB | JOH RMS gradient norm along IRC | 1 |
| 19:19, 16 December 2015 | IRC plot.png (file) |  |
1.49 MB | JOH Total energy along IRC | 2 |
| 19:03, 16 December 2015 | BOAT 2.LOG (file) | |
1.01 MB | JOH boat QST2 method | 1 |
| 19:00, 16 December 2015 | Product QST2.png (file) |  |
118 KB | JOH product QST2 | 1 |
| 18:59, 16 December 2015 | Reactant QST2.png (file) |  |
117 KB | JOH reactant QST2 | 1 |
| 18:55, 16 December 2015 | First attempt transition state QST2.png (file) |  |
207 KB | JOH first attempt transition state | 1 |
| 18:53, 16 December 2015 | First attempt product QST2.png (file) |  |
127 KB | JOH first attempt product QST2 | 1 |
| 18:50, 16 December 2015 | First attempt reactant QST2.png (file) |  |
127 KB | JOH first attempt reactant QST2 | 1 |
