Uploads by Jm4311
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 01:31, 27 September 2013 | Plants in a national park OIRARGWKJFSOIJASLK 1.PNG (file) |  |
555 KB | Plants growing in a national park, September | 1 |
| 01:35, 27 September 2013 | Plants in a national park OIRARGWKJFSOIJASLK 2.PNG (file) |  |
187 KB | Plants growing in a national park, September | 1 |
| 01:35, 27 September 2013 | Plants in a national park OIRARGWKJFSOIJASLK 3.PNG (file) |  |
232 KB | Plants growing in a national park, September | 1 |
| 21:11, 11 February 2014 | Anti diene 1a MOL file agrwejio.mol (file) |  |
2 KB | Anti 1,5-hexadiene | 1 |
| 21:24, 11 February 2014 | Gauche diene 1a MOL file ghioagoi.mol (file) | |
2 KB | Gauche 1,5-hexadiene | 1 |
| 21:53, 11 February 2014 | Gauche diene PREDICTED LOWEST mol awrhiawrg.mol (file) | |
2 KB | Predicted lowest energy conformation prior to optimisation | 1 |
| 22:06, 11 February 2014 | Gauche diene PREDICTED LOWEST outcome aehakj.mol (file) | |
2 KB | Result of optimising the predited lowest-energy conformer | 1 |
| 22:36, 11 February 2014 | Gauche diene PREDICTED LOWEST mol 2 initially.gjf (file) | |
2 KB | Second guess at the lowest-energy conformation | 2 |
| 22:45, 11 February 2014 | Gauche diene PREDICTED LOWEST mol 2 result indeedawejh.mol (file) | |
2 KB | Low energy comformation | 1 |
| 22:50, 11 February 2014 | Gauche diene PREDICTED LOWEST mol 2 initially.mol (file) | |
2 KB | Second guess at the lowest-energy conformation | 1 |
| 11:34, 12 February 2014 | Anti diene Ci guess 1a.mol (file) | |
2 KB | Initial guess for Ci 1,5-hexadiene | 1 |
| 11:42, 12 February 2014 | Anti diene Ci result 1a agjioawef.mol (file) | |
2 KB | Ci anti 1,5-hexadiene | 1 |
| 11:58, 12 February 2014 | Anti diene Ci B3LYP 6-31G star argawrgwr.mol (file) | |
2 KB | Lower energy at a higher level of theory | 1 |
| 12:20, 12 February 2014 | Anti diene Ci B3LYP 6-31G STAR REALLY eryshr.mol (file) | |
2 KB | Lower in energy still at a higher level of theory | 1 |
| 14:30, 12 February 2014 | Chair ROUGH guess 1 calculation 2 result.mol (file) | |
2 KB | C2h chair | 1 |
| 15:37, 12 February 2014 | Anti diene Ci B3LYP 6-31G STAR with a D OPTIMISATION 4 atjaeth.mol (file) | |
2 KB | Lowest energy yet | 1 |
| 16:41, 12 February 2014 | Reaction QST2 boat 2a awerhaerh.mol (file) | |
2 KB | C2v boat form from QST2 calculations | 1 |
| 16:50, 12 February 2014 | Boat form movie animation.gif (file) |  |
1.04 MB | Animation | 1 |
| 12:15, 13 February 2014 | Butadiene CUBE homo 1a agoijs.cub (file) | |
1.34 MB | AM1 HOMO orbital | 1 |
| 12:44, 13 February 2014 | Butadiene opti AM1 1b mo11 lihxxbbgliuyg.cub.pngj (file) | |
85 KB | AM1-optimised butadiene HOMO | 1 |
| 12:50, 13 February 2014 | Butadiene opti AM1 1b mo11 aethahte.cub.pngj (file) | |
85 KB | AM1-optimised butadiene HOMO | 1 |
| 13:02, 13 February 2014 | Butadiene HOMO AM1 image 1.png (file) |  |
88 KB | AM1-optimised butadiene HOMO | 1 |
| 13:05, 13 February 2014 | Butadiene LUMO AM1 image 1.png (file) |  |
93 KB | AM1-optimised butadiene LUMO | 2 |
| 13:34, 13 February 2014 | Butadiene B3LYP 6-31Gd HOMO 1a.cub.pngj (file) | |
85 KB | HOMO | 1 |
| 13:42, 13 February 2014 | Butadiene B3LYP 6-31Gd HOMO 1a.cub.jvxl (file) | |
16 KB | HOMO compressed as a jvxl file | 1 |
| 15:02, 13 February 2014 | DA transition state 1 AM1 MOL file.mol (file) | |
2 KB | AM1 Diels-Alder transition state | 1 |
| 15:12, 13 February 2014 | DA transition state 1 AM1 imaginary freq animation.gif (file) |  |
446 KB | Imaginary frequency for the AM1 Diels-Alder transition state | 1 |
| 15:37, 13 February 2014 | DA reactants and products 1a awrawrgyif.PNG (file) |  |
21 KB | Starting point for the calculations | 1 |
| 16:25, 13 February 2014 | Cyclohexene optimisation 4a from Avogadro.mol (file) | |
2 KB | Partially optimised product structure | 1 |
| 16:29, 13 February 2014 | DA reactants and products 2 ahdrrh.PNG (file) |  |
51 KB | Reactants and product | 1 |
| 16:33, 13 February 2014 | DA transition state 3a HF 3-21G.mol2 (file) | |
1,001 bytes | Transition state | 1 |
| 16:42, 13 February 2014 | DA transition state 2 oijagoosij.png (file) |  |
127 KB | Transition state | 1 |
| 17:08, 13 February 2014 | DA transition state 2 imaginary freq animation.gif (file) |  |
898 KB | Frequency animation | 1 |
| 17:17, 13 February 2014 | DA transition state HOMO 1.png (file) |  |
286 KB | HOMO | 1 |
| 17:18, 13 February 2014 | DA transition state LUMO 1.png (file) |  |
328 KB | LUMO | 1 |
| 19:44, 13 February 2014 | Cyclohexadiene with a twist to it.mol (file) | |
1 KB | Low energy structure | 1 |
| 20:00, 13 February 2014 | Maleic anhydride completely planar.mol (file) | |
918 bytes | Maleic anhydride | 1 |
| 20:28, 13 February 2014 | Endo start 1a aroijagrjio.mol (file) | |
2 KB | Endo starting state | 1 |
| 20:32, 13 February 2014 | Endo end 1a awgojiooijgr.mol (file) | |
2 KB | Bonds added | 1 |
| 20:36, 13 February 2014 | Endo end 1b from Avodagro oiuagrlj.mol (file) | |
2 KB | Optimised in Avogadro | 1 |
| 20:45, 13 February 2014 | Exo end 1b from Gaussian haeojjio.mol (file) | |
2 KB | Symmertical product | 1 |
| 20:51, 13 February 2014 | Endo start and end 1a aogjaroji.PNG (file) |  |
109 KB | Reaction start and end, endo configuration | 1 |
| 21:10, 13 February 2014 | Endo transition state 1awroiho.mol (file) | |
2 KB | Endo transition state, anhydride and diene | 1 |
| 21:13, 13 February 2014 | Endo transition state imaginary frequency 2atjatjahe.gif (file) |  |
1,020 KB | Imaginary vibration confirms Diels-Alder transition state found | 1 |
| 21:31, 13 February 2014 | Exo start and end 2a ariohjiogjo.PNG (file) |  |
101 KB | Exo calculation beginnings | 1 |
| 22:08, 13 February 2014 | Exo transition state imaginary frequency 1 ansdmawgoi.gif (file) |  |
829 KB | Exo transition stage imaginary frequency showing the correct bonds forming | 1 |
| 22:27, 13 February 2014 | Endo transition state HOMO HF 3-21G asdflkjlkagj.png (file) |  |
345 KB | Endo HOMO | 1 |
| 22:29, 13 February 2014 | Exo transition state HOMO HF 3-21G jioagjio.png (file) |  |
365 KB | Exo HOMO | 1 |
| 22:30, 13 February 2014 | Endo transition state HOMO HF 3-21G side view awrogjag.png (file) |  |
293 KB | Endo HOMO from the side | 1 |
| 22:32, 13 February 2014 | Exo transition state HOMO HF 3-21G side view wtiopwtopi.png (file) |  |
286 KB | Exo HOMO from the side | 1 |
