Uploads by Rv108
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:58, 18 February 2011 | ENDO PRODUCT OPTIMISATION.LOG (file) |  |
305 KB | 1 | |
| 15:58, 18 February 2011 | EXO PRODUCT OPTIMISATION.LOG (file) | |
397 KB | 1 | |
| 15:57, 18 February 2011 | EXO TS ATTEMPT 1 OPT AND FREQ.LOG (file) | |
397 KB | 1 | |
| 15:56, 18 February 2011 | MALEIC ANYHDRIDE OPTIMISATION.LOG (file) | |
163 KB | 1 | |
| 15:55, 18 February 2011 | CYCLOHEXADIENE OPTIMISATION.LOG (file) | |
171 KB | 1 | |
| 15:54, 18 February 2011 | FINDING TS OF CYCLOADDITION ATTEMPT 1 FREQ ANAL.LOG (file) | |
90 KB | 1 | |
| 15:54, 18 February 2011 | FINDING TS OF CYCLOADDITION ATTEMPT 1.LOG (file) | |
847 KB | 1 | |
| 15:52, 18 February 2011 | ETHYLENE AM1 OPTIMISATION.LOG (file) | |
56 KB | 1 | |
| 15:52, 18 February 2011 | CIS BUTADIENE AM1 OPTIMISATION.LOG (file) | |
154 KB | 1 | |
| 15:48, 18 February 2011 | CHAIR TS DFT OPIMISATION.LOG (file) | |
197 KB | 1 | |
| 15:47, 18 February 2011 | BOAT TS DFT OPTIMISATION.LOG (file) | |
285 KB | 1 | |
| 15:47, 18 February 2011 | CORRECT BOAT TS IRC.LOG (file) | |
285 KB | 2 | |
| 15:43, 18 February 2011 | WRONG BOAT TS IRC(done on super-computer).out (file) | |
445 KB | 1 | |
| 15:40, 18 February 2011 | FINDING BOAT TS ORIGINAL GEOMETRY.LOG (file) | |
689 KB | 1 | |
| 15:39, 18 February 2011 | CHAIR TS FROZEN COORDINATES BOND FORMING.LOG (file) | |
199 KB | 1 | |
| 15:39, 18 February 2011 | CHAIR TS FROZEN COORDINATES.LOG (file) | |
213 KB | 1 | |
| 15:34, 18 February 2011 | CHAIR TS GUESS OPT AND FREQ.LOG (file) | |
309 KB | 1 | |
| 15:31, 18 February 2011 | DFT FREQUENCY CALCULATION ANTI 2 REACTANT.LOG (file) | |
79 KB | 1 | |
| 15:31, 18 February 2011 | DFT CALCULATION ANTI 2 REACTANT.LOG (file) | |
137 KB | 1 | |
| 15:30, 18 February 2011 | ANTI 2 REACTANT.LOG (file) | |
150 KB | 1 | |
| 15:26, 18 February 2011 | GAUCHE HIGH ENERGY REACTANT.LOG (file) | |
279 KB | 1 | |
| 15:23, 18 February 2011 | GAUCHE REACTANT.LOG (file) | |
166 KB | 1 | |
| 15:19, 18 February 2011 | ANTI REACTANT.LOG (file) | |
166 KB | 1 | |
| 14:34, 18 February 2011 | Endo TS secondary orbital overlap 2.jpeg (file) |  |
143 KB | 1 | |
| 14:34, 18 February 2011 | Endo TS secondary orbital overlap 1.jpeg (file) |  |
204 KB | 1 | |
| 14:01, 18 February 2011 | Endo product of diels alder.jpeg (file) |  |
48 KB | 1 | |
| 14:00, 18 February 2011 | Exo product of diels alder.jpeg (file) |  |
42 KB | 1 | |
| 14:00, 18 February 2011 | Endo product for jmol.mol (file) | |
2 KB | 1 | |
| 14:00, 18 February 2011 | Exo product for jmol.mol (file) | |
2 KB | 1 | |
| 13:49, 18 February 2011 | Endo TS for jmol.mol (file) | |
2 KB | 1 | |
| 13:33, 18 February 2011 | Vibration of reaction from endo TS.jpeg (file) |  |
53 KB | 1 | |
| 13:20, 18 February 2011 | Endo TS of Diels Alder.jpeg (file) |  |
47 KB | 2 | |
| 12:36, 18 February 2011 | Exo TS for jmol.mol (file) | |
2 KB | 1 | |
| 12:30, 18 February 2011 | Vibration of reaction from exo TS.jpeg (file) |  |
46 KB | 1 | |
| 12:26, 18 February 2011 | Exo TS of Diels Alder.jpeg (file) |  |
41 KB | 1 | |
| 11:54, 18 February 2011 | Cycloaddition TS for jmol.mol (file) | |
2 KB | 1 | |
| 11:15, 18 February 2011 | Vibration of reaction from TS.jpeg (file) |  |
28 KB | 1 | |
| 11:09, 18 February 2011 | TS of cis-Butadiene and Ethylene Diels Alder.jpeg (file) |  |
30 KB | 1 | |
| 22:16, 17 February 2011 | LUMO of endo TS Diels Alder.jpeg (file) |  |
63 KB | 1 | |
| 22:15, 17 February 2011 | 1,3-Cyclohexadiene LUMO.jpeg (file) |  |
77 KB | 2 | |
| 22:14, 17 February 2011 | HOMO of endo TS Diels Alder.jpeg (file) |  |
64 KB | 1 | |
| 22:12, 17 February 2011 | LUMO of exo TS Diels Alder.jpeg (file) |  |
59 KB | 1 | |
| 22:12, 17 February 2011 | HOMO of exo TS Diels Alder.jpeg (file) |  |
106 KB | 1 | |
| 22:03, 17 February 2011 | Maleic Anhydride LUMO.jpeg (file) |  |
63 KB | 1 | |
| 22:03, 17 February 2011 | Maleic Anhydride HOMO.jpeg (file) |  |
64 KB | 1 | |
| 22:01, 17 February 2011 | 1,3-Cyclohexadiene HOMO.jpeg (file) |  |
89 KB | 1 | |
| 21:54, 17 February 2011 | LUMO of 1st Diels Alder TS.jpeg (file) |  |
78 KB | 1 | |
| 21:54, 17 February 2011 | HOMO of 1st Diels Alder TS.jpeg (file) |  |
141 KB | 1 | |
| 21:39, 17 February 2011 | Cis-Butadiene LUMO.jpeg (file) |  |
60 KB | 1 | |
| 21:39, 17 February 2011 | Cis-Butadiene HOMO.jpeg (file) |  |
94 KB | 1 |
