Uploads by Tna08
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:33, 22 March 2011 | ANTI2DFTOPTtim.LOG (file) |  |
232 KB | 1 | |
| 13:33, 22 March 2011 | ANTI2HFOPTtim.LOG (file) | |
263 KB | 1 | |
| 13:32, 22 March 2011 | GAUCHEOPT1tim.LOG (file) | |
233 KB | 1 | |
| 13:30, 22 March 2011 | ANTIOPT1tim.LOG (file) | |
170 KB | 1 | |
| 12:07, 22 March 2011 | Anti3 hf opttim.jpg (file) |  |
58 KB | 1 | |
| 12:06, 22 March 2011 | Anti3 dft opttim.jpg (file) |  |
61 KB | 1 | |
| 12:06, 22 March 2011 | ANTI2HFOPT jmoltim.mol (file) | |
2 KB | 1 | |
| 12:05, 22 March 2011 | ANTI2DFTOPT jmoltim.mol (file) | |
2 KB | 1 | |
| 22:21, 21 March 2011 | Gauche3opt1 jmoltim.mol (file) | |
2 KB | Gauche jmol | 1 |
| 22:21, 21 March 2011 | Gauche3opt1tim.jpg (file) |  |
55 KB | Gauche 3 opt picture | 1 |
| 21:34, 21 March 2011 | Antiopt1 jmoltim.mol (file) | |
2 KB | Anti 1 jmol | 1 |
| 21:33, 21 March 2011 | Antiopt1tim.jpg (file) |  |
54 KB | Anti opt 1 | 1 |
| 16:57, 18 March 2011 | Diborane chargestim.jpg (file) |  |
19 KB | Fig 24: diborane charges | 1 |
| 16:52, 18 March 2011 | B2H6FREQUENCYtim.LOG (file) | |
105 KB | diborane freq output | 1 |
| 16:51, 18 March 2011 | B2H6MOtim.LOG (file) | |
46 KB | diborane MO output | 1 |
| 16:36, 18 March 2011 | Diborane IRtim.jpg (file) |  |
79 KB | Fig. 24: The IR spectrum for diborane, as produced by the calculation. | 1 |
| 22:18, 17 March 2011 | DiboraneMO 12tim.jpg (file) |  |
23 KB | 1 | |
| 22:18, 17 March 2011 | DiboraneMO 11tim.jpg (file) |  |
27 KB | 1 | |
| 22:17, 17 March 2011 | DiboraneMO 10tim.jpg (file) |  |
20 KB | 1 | |
| 22:17, 17 March 2011 | DiboraneMO 9tim.jpg (file) |  |
20 KB | 1 | |
| 22:17, 17 March 2011 | DiboraneMO 8tim.jpg (file) |  |
21 KB | 1 | |
| 22:17, 17 March 2011 | DiboraneMO 7tim.jpg (file) |  |
19 KB | 1 | |
| 22:17, 17 March 2011 | DiboraneMO 6tim.jpg (file) |  |
18 KB | 1 | |
| 22:16, 17 March 2011 | DiboraneMO 5tim.jpg (file) |  |
13 KB | 1 | |
| 22:16, 17 March 2011 | DiboraneMO 4tim.jpg (file) |  |
18 KB | 1 | |
| 22:16, 17 March 2011 | DiboraneMO 3tim.jpg (file) |  |
12 KB | 1 | |
| 22:16, 17 March 2011 | DiboraneMO 2tim.jpg (file) |  |
10 KB | 1 | |
| 22:15, 17 March 2011 | DiboraneMO 1tim.jpg (file) |  |
10 KB | 1 | |
| 21:49, 17 March 2011 | MO diagram of diborane.jpg (file) |  |
71 KB | Fig. 22: MO diagram of diborane. | 1 |
| 19:39, 17 March 2011 | Diboraneoutputfile tim.LOG (file) | |
120 KB | Output file from the optimisation on Diborane | 1 |
| 19:23, 17 March 2011 | B2H6Sumandpicture.jpg (file) |  |
42 KB | B2H6 Picture on the left and summary on the right. | 1 |
| 19:20, 17 March 2011 | B2H6jmol.mol (file) | |
772 bytes | B2H6 jmol after optimisation. | 1 |
| 21:42, 14 March 2011 | Trans isomer low frequenciestim.jpg (file) |  |
14 KB | Trans isomer low frequencies screenshot. | 1 |
| 21:41, 14 March 2011 | Cis isomer low frequenciestim.jpg (file) |  |
15 KB | Cis isomer Low Frequencies screenshot. | 1 |
| 18:57, 14 March 2011 | Trans isomer summary and picture opt2.jpg (file) |  |
34 KB | Trans isomer summary and picture for second optimisation. | 1 |
| 18:56, 14 March 2011 | Cis isomer summary and picture opt2.jpg (file) |  |
35 KB | Cis isomer summary and picture for second optimisation. | 1 |
| 18:55, 14 March 2011 | Trans isomer summary and picture opt1.jpg (file) |  |
36 KB | Trans isomer summary and picture for optimisation 1. | 1 |
| 18:54, 14 March 2011 | Cis isomer summary and picture opt1.jpg (file) |  |
35 KB | Cis isomer summary and picture for first optimisation. | 1 |
| 17:38, 14 March 2011 | Cis and trans isomers chemdrawtim.jpg (file) |  |
35 KB | Fig. 14: The molecular structures of the two isomers being modelled. The cis isomer is on the left and the trans isomer is on the right. | 1 |
| 16:49, 14 March 2011 | TransMocomplexIRSpectrumtim.jpg (file) |  |
82 KB | Trans Mo complex IR Spectrum | 1 |
| 16:48, 14 March 2011 | CisMocomplexIRSpectrumtimarbab.jpg (file) |  |
78 KB | cis Mo complex IR Spectrum | 1 |
| 16:48, 14 March 2011 | CisMocomplexIRSpectrumtim.jpg (file) |  |
78 KB | cis Mo complex IR spectrum | 1 |
| 15:54, 14 March 2011 | TransMocomplexfreqtim.out (file) | |
106 KB | trans frequency output file | 1 |
| 15:51, 14 March 2011 | CisMocomplexfreqtim.out (file) | |
102 KB | cis complex frequency output file. | 1 |
| 14:33, 14 March 2011 | TransMocomplexafteropt1finaltim.jpg (file) |  |
61 KB | Trans Mo isomer after the first optimisation. | 1 |
| 14:31, 14 March 2011 | CisMocomplexafteropt1finaljpgtim.jpg (file) |  |
58 KB | Final cis Mo complex after first optimisation. | 1 |
| 14:28, 14 March 2011 | CisMocomplexafteropt2finaljpgtim.jpg (file) |  |
71 KB | Cis Mo complex after second optimisation. | 1 |
| 13:09, 14 March 2011 | TransMocomplexopt2jmoltim.mol (file) | |
1 KB | Trans Mo complex after second optimisation Jmol. | 1 |
| 13:08, 14 March 2011 | TransMocomplexafteropt2.jpg (file) |  |
58 KB | Trans Mo complex after second optimisation. | 1 |
| 13:08, 14 March 2011 | CisMocomplexopt2jmoltim.mol (file) | |
1 KB | Cis Mo complex after opt 2 Jmol. | 1 |
