Uploads by Ml6614
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| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:42, 17 October 2016 | OPT REACTANTS WIKI.LOG (file) | 1.39 MB | 1 | ||
| 14:34, 17 October 2016 | OPT TS WIKI 631G.LOG (file) | 1.32 MB | Transitionstate_optimisation_butandiene_ethene_MinjiLee | 1 | |
| 14:45, 17 October 2016 | OPT REACTANTS WIKI 631G.LOG (file) | 1.27 MB | optimisation of butadiene and ethene at 631g level_minjilee | 1 | |
| 14:58, 17 October 2016 | OPT BUTADIENE WIKI.LOG (file) | 121 KB | butadiene_minjilee | 1 | |
| 15:00, 17 October 2016 | OPT ETHENE WIKI.LOG (file) | 122 KB | ethene_minjilee | 1 | |
| 15:54, 17 October 2016 | C-C bonds.png (file) | ![]() |
504 KB | 1 | |
| 15:58, 17 October 2016 | Bondlengths2.png (file) | ![]() |
509 KB | 1 | |
| 16:34, 18 October 2016 | Opt endo ts wiki.log (file) | 4.32 MB | OPT_ENDO_TS_WIKI | 1 | |
| 16:37, 18 October 2016 | Exo ts 631g.log (file) | 1.1 MB | Opt_exo_TS | 1 | |
| 17:33, 18 October 2016 | Exo ts wiki.log (file) | 4.48 MB | EXO_TS_WIKI | 1 | |
| 14:38, 19 October 2016 | Diels-alder product.png (file) | ![]() |
71 KB | 1 | |
| 14:39, 19 October 2016 | Diels-alder ts.png (file) | ![]() |
74 KB | 1 | |
| 14:39, 19 October 2016 | Diels-alder reactant.png (file) | ![]() |
71 KB | 1 | |
| 14:40, 19 October 2016 | IRC gradient.png (file) | ![]() |
136 KB | 1 | |
| 15:12, 19 October 2016 | Diels-alder product 2.png (file) | ![]() |
69 KB | 1 | |
| 15:12, 19 October 2016 | Diels-alder ts 2.png (file) | ![]() |
64 KB | 1 | |
| 15:13, 19 October 2016 | Diels-alder reactants 2.png (file) | ![]() |
64 KB | 1 | |
| 15:14, 19 October 2016 | Cheletropic product 2.png (file) | ![]() |
73 KB | 1 | |
| 15:14, 19 October 2016 | Cheletropic ts 2.png (file) | ![]() |
71 KB | 1 | |
| 15:15, 19 October 2016 | Cheletropic reactants 2.png (file) | ![]() |
67 KB | 1 | |
| 15:16, 19 October 2016 | IRC energy gradient.png (file) | ![]() |
142 KB | 2 | |
| 14:16, 20 October 2016 | Endo HOMO 2.tif (file) | 3.17 MB | 1 | ||
| 14:26, 20 October 2016 | HOMO endo.png (file) | ![]() |
427 KB | 4 | |
| 14:28, 20 October 2016 | HOMO endo minji.png (file) | ![]() |
427 KB | 1 | |
| 14:30, 20 October 2016 | LUMO endo minji.png (file) | ![]() |
425 KB | 1 | |
| 14:31, 20 October 2016 | HOMO exo minji.png (file) | ![]() |
377 KB | 1 | |
| 14:32, 20 October 2016 | LUMO exo minji.png (file) | ![]() |
399 KB | 1 | |
| 20:31, 20 October 2016 | Reactantstogether min.png (file) | ![]() |
67 KB | 1 | |
| 20:33, 20 October 2016 | Transitionstate.png (file) | ![]() |
60 KB | 1 | |
| 20:36, 20 October 2016 | IRC ENDO DA.png (file) | ![]() |
131 KB | 1 | |
| 20:55, 20 October 2016 | Exercise3 IRC endo minji.gif (file) | ![]() |
610 KB | 1 | |
| 20:56, 20 October 2016 | Exercise3 IRC cheletropic minji.gif (file) | ![]() |
941 KB | 1 | |
| 21:38, 20 October 2016 | IRC energy.png (file) | ![]() |
153 KB | 3 | |
| 21:42, 20 October 2016 | IRC energy minji.png (file) | ![]() |
158 KB | 1 | |
| 21:48, 20 October 2016 | Exercise3 IRC exo minji.gif (file) | ![]() |
663 KB | 2 | |
| 21:57, 20 October 2016 | IRC energy 2.png (file) | ![]() |
142 KB | 3 | |
| 01:03, 21 October 2016 | Exercise2 MODiagram minji.png (file) | ![]() |
207 KB | 1 | |
| 02:30, 21 October 2016 | Reaction profile.png (file) | ![]() |
11 KB | 5 | |
| 15:15, 21 October 2016 | Reaction profile 2 minji.png (file) | ![]() |
12 KB | 1 | |
| 16:08, 13 February 2017 | Task1 analytical JaneLee.png (file) | ![]() |
14 KB | 1 | |
| 16:30, 13 February 2017 | Task1 energy JaneLee.png (file) | ![]() |
18 KB | 1 | |
| 16:52, 13 February 2017 | Task1 error JaneLee.png (file) | ![]() |
19 KB | 1 | |
| 17:37, 13 February 2017 | Task1 analytical 2 jane.png (file) | ![]() |
14 KB | 1 | |
| 17:37, 13 February 2017 | Task energy 2 jane.png (file) | ![]() |
17 KB | 1 | |
| 17:38, 13 February 2017 | Task1 error 2 jane.png (file) | ![]() |
14 KB | 1 | |
| 17:38, 13 February 2017 | Task3 energy 0.15 jane.png (file) | ![]() |
19 KB | 1 | |
| 17:39, 13 February 2017 | Task3 energy 0.2 jane.png (file) | ![]() |
22 KB | 1 | |
| 17:39, 13 February 2017 | Task3 energy 0.25 jane.png (file) | ![]() |
34 KB | 1 | |
| 17:40, 13 February 2017 | Task3 error 0.2 jane.png (file) | ![]() |
20 KB | 1 | |
| 17:40, 13 February 2017 | Task3 error 0.15 jane.png (file) | ![]() |
15 KB | 1 |








































