Uploads by Jy1109
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:40, 11 November 2011 | Boat optimisation g.png (file) |  |
13 KB | 1 | |
| 14:30, 11 November 2011 | Structure after optmiization in part g.PNG (file) |  |
20 KB | 1 | |
| 14:14, 11 November 2011 | IRC III.PNG (file) |  |
113 KB | 1 | |
| 12:47, 11 November 2011 | IRC i final structure.PNG (file) |  |
90 KB | 1 | |
| 11:41, 11 November 2011 | Trans state opt after modifying angle.PNG (file) |  |
132 KB | 1 | |
| 11:38, 11 November 2011 | Reactants and products after adjusting angles.PNG (file) |  |
97 KB | 1 | |
| 11:28, 11 November 2011 | Labelling the reactants and products.PNG (file) |  |
75 KB | 1 | |
| 10:14, 11 November 2011 | Endo mechanism.png (file) |  |
9 KB | 3 | |
| 19:44, 10 November 2011 | Endo LUMO.PNG (file) |  |
155 KB | 1 | |
| 19:28, 10 November 2011 | Endo labelled structure.PNG (file) |  |
128 KB | 2 | |
| 18:45, 10 November 2011 | Part iii opt of exo unfreeze barny structure.PNG (file) |  |
96 KB | 2 | |
| 18:42, 10 November 2011 | Endo DFT optimised structure.PNG (file) |  |
68 KB | 3 | |
| 18:33, 10 November 2011 | Part iii opt of endo freeze structure.PNG (file) |  |
132 KB | 1 | |
| 16:08, 10 November 2011 | Exo LUMO sketch.PNG (file) |  |
190 KB | 1 | |
| 11:12, 10 November 2011 | Exo labelled diagram for geometry analysis.PNG (file) |  |
127 KB | 2 | |
| 10:13, 10 November 2011 | Part iii opt of exo freeze structure.PNG (file) |  |
78 KB | 4 | |
| 10:07, 10 November 2011 | Part iii opt of exo DFT structure.PNG (file) |  |
129 KB | 1 | |
| 10:03, 10 November 2011 | Part iii opt of endo unfreeze TS barney structure.PNG (file) |  |
127 KB | 1 | |
| 09:00, 10 November 2011 | Part iii maleic LUMO.PNG (file) |  |
194 KB | 1 | |
| 08:59, 10 November 2011 | Part iii maleic HOMO.PNG (file) |  |
180 KB | 1 | |
| 08:58, 10 November 2011 | Part iii cyclohex LUMO.PNG (file) |  |
193 KB | 1 | |
| 08:57, 10 November 2011 | Part iii cyclohex HOMO.PNG (file) |  |
187 KB | 1 | |
| 07:42, 10 November 2011 | Part iii reaction.png (file) |  |
28 KB | 1 | |
| 17:06, 9 November 2011 | Part ii LUMO.PNG (file) |  |
278 KB | 1 | |
| 17:06, 9 November 2011 | PART ii HOMO.PNG (file) |  |
218 KB | 1 | |
| 16:40, 9 November 2011 | Part ii labelled diagram after optimization.PNG (file) |  |
144 KB | 1 | |
| 15:48, 9 November 2011 | Part ii opt after unfreeze.PNG (file) |  |
136 KB | 1 | |
| 15:35, 9 November 2011 | Part ii after opt using freezing coordinate.PNG (file) |  |
141 KB | 1 | |
| 15:18, 9 November 2011 | Part ii transition state before opt.PNG (file) |  |
114 KB | 1 | |
| 15:13, 9 November 2011 | Prototype reac.png (file) |  |
11 KB | 1 | |
| 15:01, 9 November 2011 | Part i LUMO.PNG (file) |  |
148 KB | 1 | |
| 14:59, 9 November 2011 | Part i HOMO.PNG (file) |  |
136 KB | 1 | |
| 14:16, 6 November 2011 | Imaginary frequency in part b.gif (file) |  |
877 KB | 1 | |
| 14:11, 6 November 2011 | Optimized strcuture for b.PNG (file) |  |
34 KB | 1 | |
| 13:34, 6 November 2011 | Mimic transition state.PNG (file) |  |
16 KB | 1 | |
| 11:35, 6 November 2011 | IR spectrum for part g.PNG (file) |  |
57 KB | 1 | |
| 22:17, 5 November 2011 | App optimization -labelled,DFT.PNG (file) |  |
79 KB | 1 | |
| 22:16, 5 November 2011 | App optimization - labelled,HF,3-21G.PNG (file) |  |
83 KB | 1 | |
| 20:12, 5 November 2011 | Gauche optimization in part c.PNG (file) |  |
90 KB | 1 | |
| 23:29, 3 November 2011 | Gauch optimization sideway view.PNG (file) |  |
79 KB | 1 | |
| 23:08, 3 November 2011 | Gauche optimization.PNG (file) |  |
78 KB | 1 | |
| 23:08, 3 November 2011 | App optimization.PNG (file) |  |
70 KB | 1 | |
| 17:05, 1 November 2011 | 1.gjf (file) |  |
17 KB | Reverted to version as of 17:04, 1 November 2011 | 5 |
| 17:17, 31 October 2011 | NBO analysis of 4.PNG (file) |  |
95 KB | 1 | |
| 17:15, 31 October 2011 | NBO analysis of 3.PNG (file) |  |
100 KB | 1 | |
| 17:13, 31 October 2011 | NBO analysis of 2.PNG (file) |  |
93 KB | 1 | |
| 17:11, 31 October 2011 | NBO analysis of 1.PNG (file) |  |
97 KB | 1 | |
| 14:53, 30 October 2011 | Lv 84.PNG (file) |  |
207 KB | 1 | |
| 14:53, 30 October 2011 | Lv 83.PNG (file) |  |
228 KB | 1 | |
| 14:52, 30 October 2011 | Lv 82.PNG (file) |  |
195 KB | 1 |
