Uploads by Ps3712
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 22:20, 1 March 2015 | Gabr3 hpc opt.mol2 (file) |  |
338 bytes | 1 | |
| 22:19, 1 March 2015 | The calculatin 2015.log (file) | |
41 KB | 1 | |
| 22:19, 1 March 2015 | Convergance hpcgabr3.PNG (file) |  |
11 KB | 1 | |
| 22:18, 1 March 2015 | Summary table gabr.PNG (file) |  |
14 KB | 1 | |
| 21:08, 1 March 2015 | Graphs bh3 6-31g 2015.PNG (file) |  |
37 KB | 1 | |
| 21:03, 1 March 2015 | BH3 OPTIMISATION 2015.LOG (file) | |
69 KB | 1 | |
| 20:57, 1 March 2015 | BH3 OPTIMISATION 6-31G 2015.mol2 (file) | |
349 bytes | 1 | |
| 20:56, 1 March 2015 | BH3 OPTIMISATION 6-31G 2015.LOG (file) | |
31 KB | 1 | |
| 20:54, 1 March 2015 | Convergence bh3(631-G).PNG (file) | .PNG) |
11 KB | 1 | |
| 20:53, 1 March 2015 | Summary table bh3(6-31G).PNG (file) | .PNG) |
33 KB | 1 | |
| 20:34, 1 March 2015 | GRAPH BH3 3-21G.PNG (file) |  |
32 KB | 1 | |
| 19:59, 1 March 2015 | BH3 Optimisation1.mol2 (file) | |
346 bytes | 1 | |
| 19:46, 1 March 2015 | BH3 OPTIMISATION.txt (file) |  |
69 KB | 1 | |
| 19:40, 1 March 2015 | Convergence table BH3.PNG (file) |  |
12 KB | 1 | |
| 19:34, 1 March 2015 | BH3 TABLE1.png (file) |  |
12 KB | 2 | |
| 21:03, 6 November 2014 | FINAL ENDO HOMO.jpg (file) |  |
26 KB | 1 | |
| 21:01, 6 November 2014 | FINAL HOMO EXO.jpg (file) |  |
9 KB | 1 | |
| 19:33, 6 November 2014 | Exo TS.mol (file) | |
2 KB | 9 | |
| 19:30, 6 November 2014 | ENDO TRIAL 1.mol (file) | |
2 KB | 2 | |
| 17:47, 6 November 2014 | HOMO of TS.jpg (file) |  |
14 KB | 1 | |
| 17:45, 6 November 2014 | BUTADIENE ETHENE TS TRIAL 100.gif (file) |  |
578 KB | 1 | |
| 17:40, 6 November 2014 | FREQUENCY OF BUTADIENE ETHENE TS TRIAL 100.mol (file) | |
2 KB | 1 | |
| 17:34, 6 November 2014 | LUMO of Ethene.jpg (file) |  |
13 KB | 1 | |
| 17:32, 6 November 2014 | HUMO of ethene.jpg (file) |  |
15 KB | 1 | |
| 17:30, 6 November 2014 | LUMO of Butadiene.jpg (file) |  |
21 KB | 1 | |
| 17:28, 6 November 2014 | HUMO of Butadiene.jpg (file) |  |
13 KB | 1 | |
| 17:23, 6 November 2014 | Ethene optimisation.jpg (file) |  |
11 KB | 1 | |
| 17:20, 6 November 2014 | Optimised Butadiene.jpg (file) |  |
10 KB | 2 | |
| 17:08, 6 November 2014 | IRC calculation chair.mol (file) | |
2 KB | 1 | |
| 17:06, 6 November 2014 | TRIAL 7 IRC CALCULATION BOAT.mol (file) | |
2 KB | 1 | |
| 17:01, 6 November 2014 | Final Boat transition structure2.jpg.ogg (file) |  |
84 KB | 1 | |
| 16:58, 6 November 2014 | Final Boat transition structure2.jpg (file) |  |
84 KB | Wrong size was initially uploaded | 1 |
| 16:55, 6 November 2014 | Final Boat transition structure.jpeg (file) |  |
84 KB | 1 | |
| 16:53, 6 November 2014 | Final Boat transition.jpeg (file) |  |
84 KB | 1 | |
| 16:52, 6 November 2014 | Final Boat transition.jpg (file) |  |
84 KB | 2 | |
| 16:42, 6 November 2014 | Reactant and product.jpg.ogg (file) |  |
77 KB | 1 | |
| 16:40, 6 November 2014 | Reactant and product.jpg (file) |  |
77 KB | 1 | |
| 16:38, 6 November 2014 | React and product.ogg (file) |  |
77 KB | 2 | |
| 16:35, 6 November 2014 | React and product.jpg.ogg (file) |  |
77 KB | 1 | |
| 16:28, 6 November 2014 | Untitled.jpg.ogg (file) |  |
98 KB | 1 | |
| 16:08, 6 November 2014 | WILL FAIL CALCULATION PART E.mol (file) | |
2 KB | 1 | |
| 15:59, 6 November 2014 | React and product.jpg (file) |  |
77 KB | 1 | |
| 15:50, 6 November 2014 | FREEZE.jpg (file) |  |
84 KB | 1 | |
| 15:48, 6 November 2014 | Chair guess optimised.jpg (file) |  |
87 KB | 2 | |
| 15:42, 6 November 2014 | Chair allyl opt.jpg (file) |  |
81 KB | 1 | |
| 15:27, 6 November 2014 | Allyl optimisation.jpg (file) |  |
79 KB | 1 | |
| 15:23, 6 November 2014 | Ir spectrum.jpg (file) |  |
157 KB | 1 | |
| 14:35, 6 November 2014 | C2 opt.jpg (file) |  |
22 KB | Reverted to version as of 14:24, 6 November 2014 | 3 |
| 11:27, 6 November 2014 | Diels-alder-reaction.jpg (file) |  |
17 KB | 3 | |
| 10:37, 5 November 2014 | Anti 2 after minimsation.jpg (file) |  |
74 KB | 1 |
