Uploads by Pp1711
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 11:15, 31 October 2013 | Boat IRC.svg (file) |  |
20 KB | 2 | |
| 09:56, 31 October 2013 | UNFROZEN CHAIR.mol (file) |  |
2 KB | 1 | |
| 09:37, 31 October 2013 | IR partg part1.svg (file) |  |
25 KB | 1 | |
| 20:09, 30 October 2013 | DFT HOMO DA.jpg (file) |  |
118 KB | 1 | |
| 20:09, 30 October 2013 | LUMO DFT Da.jpg (file) |  |
125 KB | 1 | |
| 20:04, 30 October 2013 | DA TS DFT.mol (file) | |
2 KB | 1 | |
| 18:09, 30 October 2013 | Unfrozen chair animation.gif (file) |  |
766 KB | 1 | |
| 16:50, 30 October 2013 | Hexadiene anti.mol (file) | |
2 KB | 2 | |
| 15:22, 30 October 2013 | Hexadiene anti guess.mol (file) | |
2 KB | 1 | |
| 17:49, 29 October 2013 | Endo product 26.mol (file) | |
2 KB | 1 | |
| 17:49, 29 October 2013 | Endo irc.svg (file) |  |
20 KB | 2 | |
| 17:22, 29 October 2013 | Endo imaginary vibration.gif (file) |  |
1.58 MB | 2 | |
| 14:31, 29 October 2013 | Final exo product.mol (file) | |
2 KB | 1 | |
| 14:23, 29 October 2013 | Product exo.mol (file) | |
2 KB | 1 | |
| 13:55, 29 October 2013 | Exo irc.svg (file) |  |
23 KB | 1 | |
| 13:08, 29 October 2013 | Point 19 endo.mol (file) | |
2 KB | 1 | |
| 13:04, 29 October 2013 | Point 1 irc endo.mol (file) | |
2 KB | 1 | |
| 18:19, 28 October 2013 | Irc exo point25.gjf (file) | |
2 KB | 1 | |
| 18:18, 28 October 2013 | Irc exo irc point24.mol (file) | |
2 KB | 1 | |
| 18:18, 28 October 2013 | IRC exo wrong.svg (file) |  |
20 KB | 1 | |
| 17:51, 28 October 2013 | Endo final try.mol (file) | |
2 KB | 2 | |
| 16:52, 28 October 2013 | Endo guess.mol (file) | |
2 KB | 1 | |
| 15:17, 28 October 2013 | Endo structure.mol (file) | |
2 KB | 1 | |
| 14:59, 28 October 2013 | LUMO before qst2.jpg (file) |  |
79 KB | 1 | |
| 14:59, 28 October 2013 | HOMO of qst2.jpg (file) |  |
72 KB | 1 | |
| 14:04, 28 October 2013 | Exo product.mol (file) | |
2 KB | 3 | |
| 14:04, 28 October 2013 | Mal anhydride.mol (file) | |
937 bytes | 1 | |
| 14:04, 28 October 2013 | Hexadiene correct.mol (file) | |
1 KB | 1 | |
| 14:03, 28 October 2013 | Qst2 run 1 ts.gif (file) |  |
953 KB | 1 | |
| 14:03, 28 October 2013 | Qst2 run1 ts.mol (file) | |
2 KB | 1 | |
| 17:51, 25 October 2013 | Animation 76.gif (file) |  |
630 KB | 1 | |
| 16:47, 25 October 2013 | Opt and freq of 76 again.mol (file) | |
2 KB | 1 | |
| 16:02, 25 October 2013 | Irc number51.mol (file) | |
1 KB | 1 | |
| 15:47, 25 October 2013 | Orientated HOMO.gif (file) |  |
113 KB | 1 | |
| 15:46, 25 October 2013 | LUMO transition state.gif (file) |  |
85 KB | 1 | |
| 15:45, 25 October 2013 | LUMO transition state transparent.gif (file) |  |
110 KB | 1 | |
| 15:45, 25 October 2013 | HOMO transition state transparant.gif (file) |  |
111 KB | 1 | |
| 15:45, 25 October 2013 | HOMO of transition state.gif (file) |  |
80 KB | 1 | |
| 14:46, 25 October 2013 | IRCrun minimsed.mol (file) | |
2 KB | 1 | |
| 14:33, 25 October 2013 | IRC run number76.mol (file) | |
2 KB | 1 | |
| 14:32, 25 October 2013 | IRC run number1.mol (file) | |
1 KB | 1 | |
| 14:30, 25 October 2013 | IRC of unfrozen transition state.svg (file) |  |
24 KB | 1 | |
| 14:06, 25 October 2013 | Unfrozen first positive vibration.gif (file) |  |
633 KB | 1 | |
| 14:01, 25 October 2013 | Unfrozen vibration.gif (file) |  |
634 KB | 1 | |
| 13:25, 25 October 2013 | Unfrozen co-ord run of log.mol (file) | |
2 KB | 1 | |
| 13:12, 25 October 2013 | Frozen co-ord run of log.mol (file) | |
2 KB | 1 | |
| 13:10, 25 October 2013 | Frozen co-ord run.mol (file) | |
2 KB | 1 | |
| 12:50, 25 October 2013 | Guess transition stateopt+freq.mol (file) | |
2 KB | 1 | |
| 12:49, 25 October 2013 | Animation of transition state opt+freq.gif (file) |  |
644 KB | 1 | |
| 12:12, 25 October 2013 | Animation of transition state otp+freq.gif (file) |  |
530 KB | 1 |
