Uploads by Tna08
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:07, 14 March 2011 | CisMocomplexafteropt2tim.jpg (file) |  |
65 KB | Cis Mo complex after second optimisation. | 1 |
| 12:22, 14 March 2011 | TransMocomplexjmoltim.mol (file) |  |
1 KB | Trans Mo complex after the first optimisation Jmol. | 1 |
| 12:21, 14 March 2011 | TransMocomplexafteropt1tim.jpg (file) |  |
62 KB | Trans complex after the first optimisation. | 1 |
| 12:21, 14 March 2011 | CisMocomplexjmoltim.mol (file) | |
1 KB | Cis Mo complex after the first optimisation Jmol. | 1 |
| 12:20, 14 March 2011 | CisMocomplexafteropt1tim.jpg (file) |  |
63 KB | Cis Mo complex after first optimisation. | 1 |
| 21:23, 13 March 2011 | TlBr3 frequency outputtim.jpg (file) |  |
28 KB | Fig. 13: A screenshot of the frequency output file for the Thallium bromide. | 1 |
| 20:43, 13 March 2011 | TLBR3FREQ2tim.LOG (file) | |
120 KB | TlBr3 Frequency optimisation output file. | 1 |
| 19:46, 13 March 2011 | TLBR3FREQtim.LOG (file) | |
119 KB | The output file for the frequency analysis of Thallium bromide. | 1 |
| 19:42, 13 March 2011 | TlBr output summary finaltim2.jpg (file) |  |
25 KB | Fig. 12: The output summary from the TlBr3 optimisation. | 1 |
| 18:34, 13 March 2011 | TLBR3jmoltim.mol (file) | |
443 bytes | Optimised Thallium bromide Jmol. | 1 |
| 18:33, 13 March 2011 | TlBr3 Optimisedtim.jpg (file) |  |
42 KB | Optimised structure of Thallium bromide. | 1 |
| 17:43, 13 March 2011 | TlBr output summary finaltim.jpg (file) |  |
27 KB | Fig. 11: The output summary from the TlBr3 optimisation. | 1 |
| 18:33, 12 March 2011 | TLBR3.LOG (file) | |
39 KB | ThBr3 optimisation output file | 1 |
| 18:30, 12 March 2011 | TlBr output summary.jpg (file) |  |
30 KB | Fig. 11: The output summary from the TlBr3 optimisation | 1 |
| 18:51, 11 March 2011 | BH3FreqAnalysistim.LOG (file) | |
45 KB | BH3 Frequency Analysis log file | 1 |
| 17:30, 11 March 2011 | BH3 IR Spectrumtim.jpg (file) |  |
58 KB | Fig. 10 : The IR Spectrum for BH3 as produced by Gaussian. | 1 |
| 22:42, 10 March 2011 | BH3 NBO output filescreenshottim.jpg (file) |  |
86 KB | Figure. 8: A screen shot of the relevant part of the output file for the NBO analysis. | 1 |
| 21:24, 10 March 2011 | BH3 NBO with shading for chargetim.jpg (file) |  |
24 KB | Fig. 6: The BH3 molecule with shading to show the charge and the charge numbers. | 1 |
| 21:11, 10 March 2011 | BH3 NBOtim.LOG (file) | |
32 KB | Log file for NBO analysis | 1 |
| 21:06, 10 March 2011 | BH3 MOStim.LOG (file) | |
32 KB | MO Analysis Log file | 1 |
| 20:58, 10 March 2011 | Optimisation tim.LOG (file) | |
50 KB | BH3 optimisation. | 1 |
| 20:54, 10 March 2011 | BH3 ATTEMPT 2 MOS.LOG (file) | |
32 KB | 1 | |
| 20:31, 10 March 2011 | MO diagram for BH3 Finaltim.jpg (file) |  |
65 KB | Fig. 4: The MO diagram for BH3. | 1 |
| 20:29, 10 March 2011 | BH3 chemdrawtim.cdx (file) | |
21 KB | Fig. 4: The MO diagram for BH3. | 1 |
| 22:42, 9 March 2011 | BH3 ATTEMPT 2 MOS TRY 2.LOG (file) | |
32 KB | 1 | |
| 22:34, 9 March 2011 | BH3 MO 6tim.jpg (file) |  |
15 KB | LUMO+1 | 1 |
| 22:33, 9 March 2011 | BH3 MO 8tim.jpg (file) |  |
18 KB | LUMO+2 | 1 |
| 22:33, 9 March 2011 | BH3 MO 7tim.jpg (file) |  |
17 KB | LUMO+1 | 1 |
| 22:33, 9 March 2011 | BH3 MO 5tim.jpg (file) |  |
12 KB | LUMO | 1 |
| 22:32, 9 March 2011 | BH3 MO 4tim.jpg (file) |  |
14 KB | BH3 HOMO | 1 |
| 22:32, 9 March 2011 | BH3 MO 3tim.jpg (file) |  |
13 KB | BH3 HOMO-1 | 1 |
| 22:31, 9 March 2011 | BH3 MO 2tim.jpg (file) |  |
11 KB | BH3 HOMO-2 | 1 |
| 22:28, 9 March 2011 | BH3 MO 1tim.jpg (file) |  |
11 KB | BH3 HOMO-3 | 1 |
| 19:56, 9 March 2011 | MO diagram for BH3 2tim.jpg (file) |  |
59 KB | Fig. 4: MO diagram for borane. | 1 |
| 19:52, 9 March 2011 | MO diagram for BH3Tim.jpg (file) |  |
58 KB | 1 | |
| 16:32, 9 March 2011 | Borane opt 5.jpg (file) |  |
34 KB | Step 5 jpg | 1 |
| 16:31, 9 March 2011 | Borane opt 5 Jmol.mol (file) | |
440 bytes | Step 5 Jmol | 1 |
| 16:31, 9 March 2011 | Borane opt 4.jpg (file) |  |
34 KB | Step 4 jpg | 1 |
| 16:29, 9 March 2011 | Borane opt 4 Jmol.mol (file) | |
440 bytes | Step 4 Jmol | 1 |
| 16:28, 9 March 2011 | Borane opt 3.jpg (file) |  |
31 KB | Step 3 jpg | 1 |
| 16:28, 9 March 2011 | Borane opt 3 Jmol.mol (file) | |
371 bytes | Step 3 Jmol | 1 |
| 16:28, 9 March 2011 | Borane opt 2.jpg (file) |  |
31 KB | Step 2 jpg | 1 |
| 16:27, 9 March 2011 | Borane opt 2 Jmol.mol (file) | |
371 bytes | Step 2 Jmol | 1 |
| 16:27, 9 March 2011 | Borane opt 1 Jmol.mol (file) | |
371 bytes | Step 1 Jmol | 1 |
| 16:27, 9 March 2011 | Borane opt 1.jpg (file) |  |
31 KB | Step 1 jpg | 1 |
| 14:55, 9 March 2011 | Borane after optimisation 2.jpg (file) |  |
51 KB | Fig. 1: Image of Borane after optimisation. | 1 |
| 14:50, 9 March 2011 | Borane after optimisation jmol.mol (file) | |
440 bytes | Fig. 1: Jmol of Borane after optimisation. | 1 |
| 14:49, 9 March 2011 | Borane after optimisation.jpg (file) |  |
46 KB | Fig. 1: Borane after optimisation | 1 |
| 19:10, 4 March 2011 | Picture 15 MOs of 12 from PM6 2.jpg (file) |  |
120 KB | Fig. 14: The molecular orbitals obtained using PM6. The top row is, from left to right, HOMO-2, HOMO-1 and HOMO. The bottom row is, from left to right, LUMO, LUMO+1 and LUMO+2. | 1 |
| 19:07, 4 March 2011 | Picture 14 reaction of 12 and CCl2 2.jpg (file) |  |
23 KB | Fig. 14: The reaction of 12 and dichlorocarbene to form the di or mono adduct. | 1 |
