Uploads by Shl108
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:09, 12 November 2010 | Exoproduct.gjf (file) |  |
3 KB | 1 | |
| 15:57, 12 November 2010 | Secondary.jpg (file) |  |
34 KB | 1 | |
| 15:41, 12 November 2010 | Exoproduct.mol2 (file) | |
1 KB | 1 | |
| 15:40, 12 November 2010 | Endoproduct.mol2 (file) | |
1 KB | 1 | |
| 14:56, 12 November 2010 | Vibrationpositive.png (file) |  |
33 KB | 1 | |
| 12:42, 12 November 2010 | CoordinateDerivative.gif (file) |  |
383 KB | 2 | |
| 12:27, 12 November 2010 | Coperearr.png (file) |  |
10 KB | 1 | |
| 12:26, 12 November 2010 | Coperea.jpg (file) |  |
12 KB | 1 | |
| 11:47, 12 November 2010 | GAUCHE3.mol2 (file) | |
982 bytes | 1 | |
| 20:34, 11 November 2010 | ExoLUMO1.png (file) |  |
49 KB | 1 | |
| 20:33, 11 November 2010 | ExoLUMO.png (file) |  |
49 KB | 3 | |
| 20:20, 11 November 2010 | ENDOLUMO.png (file) |  |
53 KB | 1 | |
| 19:59, 11 November 2010 | DielsAlderVibration.png (file) |  |
70 KB | 2 | |
| 18:22, 11 November 2010 | DielAlderHOMO.png (file) |  |
38 KB | 2 | |
| 14:49, 9 November 2010 | DielsAlderQST2.png (file) |  |
42 KB | 1 | |
| 13:43, 9 November 2010 | ButadieneLUMO.png (file) |  |
42 KB | 1 | |
| 18:25, 8 November 2010 | Anti2HFopt0K.out (file) | |
146 KB | 1 | |
| 18:25, 8 November 2010 | Anti2HFopt.out (file) | |
146 KB | 1 | |
| 18:24, 8 November 2010 | Anti2HFopt.gjf (file) | |
1 KB | 1 | |
| 18:22, 8 November 2010 | BoatoptDFT0K.out (file) | |
212 KB | 1 | |
| 18:22, 8 November 2010 | BoatoptDFT.out (file) | |
212 KB | 1 | |
| 18:22, 8 November 2010 | Boatopt0K.out (file) | |
616 KB | 1 | |
| 18:21, 8 November 2010 | DFTChair0K.out (file) | |
228 KB | 1 | |
| 18:20, 8 November 2010 | DFTChair.out (file) | |
228 KB | 1 | |
| 18:20, 8 November 2010 | BerryTSchair0K.out (file) | |
657 KB | 1 | |
| 18:19, 8 November 2010 | BerryTSChair.out (file) | |
657 KB | 1 | |
| 16:48, 8 November 2010 | RMS Gradient Norm along IRC2.png (file) |  |
69 KB | 1 | |
| 16:46, 8 November 2010 | Total Energy along IRC2.png (file) |  |
75 KB | 1 | |
| 16:44, 8 November 2010 | Calculating force Always.png (file) |  |
30 KB | 1 | |
| 16:15, 8 November 2010 | BerryTSChairIRC1.png (file) |  |
38 KB | 1 | |
| 16:15, 8 November 2010 | BerryTSChairIRC.png (file) |  |
38 KB | 5 | |
| 16:09, 8 November 2010 | Total Energy along IRC.png (file) |  |
56 KB | 1 | |
| 15:36, 8 November 2010 | DerivativeCoordinate.fchk (file) | |
184 KB | 1 | |
| 15:17, 8 November 2010 | BOATOPTQST2.LOG (file) | |
695 KB | 1 | |
| 15:09, 8 November 2010 | FreezeChairCoordinate.fchk (file) | |
175 KB | 1 | |
| 15:02, 8 November 2010 | BerryTSChair.fchk (file) | |
184 KB | 1 | |
| 15:01, 8 November 2010 | BerryTSChair-818.gif (file) |  |
445 KB | 1 | |
| 14:56, 8 November 2010 | CB1.png (file) |  |
13 KB | 1 | |
| 14:54, 8 November 2010 | CB1.LOG (file) | |
21 KB | 1 | |
| 13:08, 7 November 2010 | BoatoptQST2.gif (file) |  |
437 KB | 1 | |
| 19:26, 4 November 2010 | FREQUENCY2.LOG (file) | |
79 KB | 1 | |
| 19:21, 4 November 2010 | IR spectrum2.jpg (file) |  |
103 KB | 1 | |
| 18:45, 4 November 2010 | DFToptFREQUENCY.LOG (file) | |
80 KB | 1 | |
| 18:11, 4 November 2010 | DEToptIR spectrum.jpg (file) |  |
106 KB | 1 | |
| 17:29, 4 November 2010 | Anticonformer2DFT.LOG (file) | |
139 KB | 1 | |
| 17:17, 4 November 2010 | Antib.mol2 (file) | |
982 bytes | 1 | |
| 17:16, 4 November 2010 | Anticonformer2.LOG (file) | |
165 KB | 1 | |
| 16:16, 4 November 2010 | Gauchea.mol2 (file) | |
982 bytes | 1 | |
| 16:12, 4 November 2010 | GaucheConformerA.LOG (file) | |
182 KB | 1 | |
| 15:58, 4 November 2010 | Anticonformer1.LOG (file) | |
166 KB | 1 |
