Uploads by Bc608
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:10, 24 March 2011 | Bc608 Schrodinger.png (file) |  |
2 KB | 1 | |
| 13:56, 24 March 2011 | Bc608 SimplifiedTaylorExpansion2.png (file) |  |
8 KB | 3 | |
| 13:55, 24 March 2011 | Bc608 TaylorExpansion2.png (file) |  |
12 KB | 4 | |
| 13:48, 24 March 2011 | Bc608 HessianConversion.png (file) |  |
5 KB | 1 | |
| 13:43, 24 March 2011 | Bc608 MAsscoords.png (file) |  |
2 KB | 1 | |
| 13:37, 24 March 2011 | Bc608 DiagonalisationOfHessian.png (file) |  |
5 KB | 2 | |
| 13:17, 24 March 2011 | Bc608 NuclearSchrodinger.png (file) |  |
4 KB | 1 | |
| 11:31, 24 March 2011 | Bc608 SimpleSystem.png (file) |  |
4 KB | 1 | |
| 11:31, 24 March 2011 | SimpleSystem.png (file) |  |
4 KB | 1 | |
| 11:12, 24 March 2011 | Bc608 FrozenCoordinateMethodvsdirect.png (file) |  |
132 KB | 1 | |
| 10:28, 24 March 2011 | Bc608 BernyTShowitworks.png (file) |  |
29 KB | 1 | |
| 09:59, 24 March 2011 | Bc608 Hessian.png (file) |  |
12 KB | 2 | |
| 09:30, 24 March 2011 | Bc608 GeneralTaylorexpansion.png (file) |  |
4 KB | 1 | |
| 09:24, 24 March 2011 | Bc608 SimplifiedTaylorExpansion.png (file) |  |
3 KB | 2 | |
| 09:20, 24 March 2011 | Bc608 TaylorExpansionAboutX0.png (file) |  |
12 KB | 1 | |
| 11:20, 23 March 2011 | Bc608 HowBernyTSOptimisationWorks.png (file) |  |
20 KB | 1 | |
| 10:11, 23 March 2011 | Bc608 DFT FREQ ANTICONF 0K.LOG (file) |  |
78 KB | 1 | |
| 13:03, 22 March 2011 | Bc608 IRC CALC WHATISHAPPENING.png (file) |  |
17 KB | 1 | |
| 12:57, 22 March 2011 | Bc608 IRC PES CALCULATIONS FORCECONSTANTALLVSGUESS.png (file) |  |
19 KB | 1 | |
| 10:52, 22 March 2011 | Bc608 Gauche3.mol (file) | |
2 KB | 1 | |
| 10:50, 22 March 2011 | Bc608 GAUCHE3.LOG (file) | |
150 KB | 1 | |
| 10:09, 22 March 2011 | Bc608 DihedralAngleOver360.png (file) |  |
32 KB | 1 | |
| 16:01, 21 March 2011 | Bc608 TS FREQUENCY.LOG (file) | |
81 KB | 1 | |
| 15:12, 21 March 2011 | Bc608 BERNY TS OPT.mol (file) | |
2 KB | 1 | |
| 14:54, 21 March 2011 | Bc608 BERNY TS OPT.LOG (file) | |
1.05 MB | 1 | |
| 14:53, 21 March 2011 | Bc608 Starting geometry.mol (file) | |
2 KB | 1 | |
| 14:48, 21 March 2011 | Bc608 NORBORNENE PRECURSOR.mol (file) | |
2 KB | 1 | |
| 14:47, 21 March 2011 | Bc608 NORBORNENE PRECURSOR.LOG (file) | |
294 KB | 1 | |
| 11:51, 21 March 2011 | Bc608 Norbornene Start Structure.png (file) |  |
7 KB | 1 | |
| 10:56, 21 March 2011 | Bc608 Ethylene LUMO.png (file) |  |
42 KB | 1 | |
| 10:55, 21 March 2011 | Bc608 Ethylene HOMO.png (file) |  |
42 KB | 1 | |
| 10:55, 21 March 2011 | Bc608 Butadiene LUMO.png (file) |  |
33 KB | 1 | |
| 10:54, 21 March 2011 | Bc608 Butadiene HOMO.png (file) |  |
38 KB | 1 | |
| 10:34, 21 March 2011 | Bc608 ETHYLENE AM1 FREQ.LOG (file) | |
37 KB | 1 | |
| 10:33, 21 March 2011 | Bc608 ETHYLENE AM1 OPT.LOG (file) | |
56 KB | 1 | |
| 10:32, 21 March 2011 | Bc608 Ethylene AM1 Opt.mol (file) | |
632 bytes | 1 | |
| 10:31, 21 March 2011 | Bc608 Butadiene AM1 opt.mol (file) | |
1,008 bytes | 1 | |
| 10:30, 21 March 2011 | Bc608 BUTADIENE AM1 FREQ.LOG (file) | |
63 KB | 1 | |
| 10:30, 21 March 2011 | Bc608 BUTADIENE AM1 OPT.LOG (file) | |
103 KB | 1 | |
| 19:13, 20 March 2011 | Bc608 BOAT B3LYP.mol (file) | |
2 KB | 1 | |
| 19:11, 20 March 2011 | Bc608 Chair B3Lyp.mol (file) | |
2 KB | 1 | |
| 18:42, 20 March 2011 | Bc608 Boat TS IRC GRAPH.png (file) |  |
43 KB | 1 | |
| 18:40, 20 March 2011 | Bc608 IRC BOAT.mol (file) | |
2 KB | 1 | |
| 18:29, 20 March 2011 | Bc608 FORCEconstantsALWAYSProgressAlongIRC.png (file) |  |
45 KB | 1 | |
| 18:28, 20 March 2011 | Bc608 50pointsIRCgraphs.png (file) |  |
48 KB | 1 | |
| 18:10, 20 March 2011 | Bc608 ForceconstantsalwaysSCAN.mol (file) | |
2 KB | 1 | |
| 17:41, 20 March 2011 | BC608 IRC attempt1 50steps forceconstantsalways.mol (file) | |
2 KB | 1 | |
| 16:51, 20 March 2011 | Bc608 StraightOffOptmisation.mol (file) | |
2 KB | 1 | |
| 16:49, 20 March 2011 | Bc608 STRAIGHTOFFOPTMISATION.LOG (file) | |
230 KB | 1 | |
| 16:27, 20 March 2011 | Bc608 IRC ATTEMPT1 41stiteration.mol (file) | |
2 KB | 1 |
