Uploads by Ft311
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 12:19, 1 November 2013 | CHAIR TS ALLYL 631GD.LOG (file) |  |
469 KB | 1 | |
| 12:17, 1 November 2013 | BOAT B3LYP6-31G FREQUENCY.LOG (file) | |
156 KB | 1 | |
| 12:14, 1 November 2013 | BOAT B3LYP6-31G OPTIMISATION.LOG (file) | |
117 KB | 1 | |
| 12:10, 1 November 2013 | Optimisation 42 gauche2.fchk (file) | |
167 KB | 1 | |
| 12:01, 1 November 2013 | OPTIMISATION 42 GAUCHE2 631GB3LYP.LOG (file) | |
233 KB | 1 | |
| 11:55, 1 November 2013 | CHAIR TS ALLY IRC.LOG (file) | |
451 KB | 1 | |
| 11:46, 1 November 2013 | QST OPTIMISED JOB FAIL.LOG (file) | |
18 KB | 1 | |
| 11:07, 1 November 2013 | Chair ts ally irc II.log (file) | |
441 KB | 1 | |
| 11:07, 1 November 2013 | QST optimised.log (file) | |
679 KB | 1 | |
| 11:07, 1 November 2013 | CHAIR TS ALLY FRAGMENTS OPTIMISATION hessian.log (file) | |
72 KB | 1 | |
| 11:07, 1 November 2013 | CHAIR TS ALLY FRAGMENTS OPTIMISATION REDUNDANT.log (file) | |
247 KB | 1 | |
| 11:07, 1 November 2013 | Chair ts ally fragments optimisation.log (file) | |
781 KB | 1 | |
| 11:07, 1 November 2013 | 1,5-hexadiene frequency anti2 B3LYP6-31Gd.log (file) | |
78 KB | 1 | |
| 11:07, 1 November 2013 | 1,5-HEXADIENE OPTIMISATION ANTI2 B3LYP6-31GD.LOG (file) | |
371 KB | 1 | |
| 11:07, 1 November 2013 | 1,5-hexadiene optimisation gauche.log (file) | |
401 KB | 1 | |
| 11:07, 1 November 2013 | 1,5-hexadiene optimisation anti2.log (file) | |
353 KB | 1 | |
| 11:07, 1 November 2013 | 1,5-hexadiene optimisation anti1.log (file) | |
384 KB | 1 | |
| 20:45, 31 October 2013 | 1,5-hexadiene optimisation anti2.PNG (file) |  |
19 KB | 3 | |
| 19:54, 31 October 2013 | Chair ts hessian.PNG (file) |  |
32 KB | 1 | |
| 19:06, 31 October 2013 | 1,5-hexadiene optimisation anti2 higher level.PNG (file) |  |
18 KB | 1 | |
| 18:52, 31 October 2013 | 1,5-hexadiene optimisation anti1.PNG (file) |  |
17 KB | 1 | |
| 18:44, 31 October 2013 | 1,5-hexadiene optimisation gauche.PNG (file) |  |
24 KB | 1 | |
| 15:25, 31 October 2013 | Lowest energy conformer.cdx (file) |  |
3 KB | 3 | |
| 23:02, 30 October 2013 | Secondary overlap orbitals.PNG (file) |  |
12 KB | 2 | |
| 16:03, 30 October 2013 | Exo structure.PNG (file) |  |
36 KB | 2 | |
| 16:03, 30 October 2013 | Endo structure.PNG (file) |  |
35 KB | 2 | |
| 15:47, 30 October 2013 | Endo mo lumo.PNG (file) |  |
60 KB | 1 | |
| 15:47, 30 October 2013 | Endo mo homo.PNG (file) |  |
66 KB | 1 | |
| 15:47, 30 October 2013 | Exo mo lumo.PNG (file) |  |
71 KB | 1 | |
| 15:47, 30 October 2013 | Exo mo homo.PNG (file) |  |
68 KB | 1 | |
| 15:36, 30 October 2013 | MO DIAGRAM CYCLOHEXENE.PNG (file) |  |
37 KB | 3 | |
| 19:01, 29 October 2013 | Cyclohexene vibration lowest positive.gif (file) |  |
939 KB | 1 | |
| 18:40, 29 October 2013 | Cyclohexene vibration.gif (file) |  |
953 KB | 1 | |
| 16:10, 29 October 2013 | Cyclohexene structure.PNG (file) |  |
35 KB | 2 | |
| 19:13, 25 October 2013 | Lumo cyclohexene.PNG (file) |  |
94 KB | 2 | |
| 19:13, 25 October 2013 | Homo cyclohexene.PNG (file) |  |
74 KB | 2 | |
| 21:01, 24 October 2013 | LUMO butadiene.PNG (file) |  |
72 KB | 1 | |
| 21:00, 24 October 2013 | HOMO butadiene.PNG (file) |  |
71 KB | 1 | |
| 16:16, 24 October 2013 | Chair higher level ir.PNG (file) |  |
27 KB | 1 | |
| 16:12, 24 October 2013 | Boat higher level.gif (file) |  |
447 KB | 1 | |
| 16:05, 24 October 2013 | Chair higher level.gif (file) |  |
870 KB | 1 | |
| 13:58, 24 October 2013 | Chair higher level ir.gif (file) |  |
447 KB | 1 | |
| 13:51, 24 October 2013 | Boat ir higher level.PNG (file) |  |
46 KB | 1 | |
| 11:08, 24 October 2013 | Chair ts allyl.PNG (file) |  |
65 KB | 1 | |
| 19:09, 23 October 2013 | Boat.gif (file) |  |
983 KB | 1 | |
| 13:23, 23 October 2013 | Ally fragment optimisation redundant optimised.PNG (file) |  |
36 KB | 3 | |
| 12:17, 23 October 2013 | Ally fragment optimisation 818.gif (file) |  |
840 KB | 1 | |
| 13:49, 22 October 2013 | 1,5-hexadiene frequency anti2 B3LYP6-31Gd IR.PNG (file) |  |
35 KB | 1 | |
| 19:01, 21 October 2013 | Lowest energy conformer.PNG (file) |  |
3 KB | 2 | |
| 21:38, 17 October 2013 | N(CH3)3(CH2OH) energy.fchk (file) | |
569 KB | 1 |
