Uploads by Ir208
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:13, 8 February 2011 | Bhs vibs.JPG (file) |  |
84 KB | 1 | |
| 14:03, 8 February 2011 | IR BH3.JPG (file) |  |
63 KB | 3 | |
| 13:51, 8 February 2011 | Bh3 charges.JPG (file) |  |
27 KB | 1 | |
| 13:47, 8 February 2011 | Occupancy.JPG (file) |  |
84 KB | 1 | |
| 13:45, 8 February 2011 | Natural population.JPG (file) |  |
42 KB | 1 | |
| 13:43, 8 February 2011 | Natural bond order summary.JPG (file) |  |
59 KB | 1 | |
| 13:17, 8 February 2011 | MO8b.JPG (file) |  |
16 KB | 1 | |
| 13:16, 8 February 2011 | MO7b.JPG (file) |  |
17 KB | 1 | |
| 13:15, 8 February 2011 | MO6b.JPG (file) |  |
16 KB | 1 | |
| 13:15, 8 February 2011 | MO5b.JPG (file) |  |
17 KB | 1 | |
| 13:14, 8 February 2011 | MO4b.JPG (file) |  |
16 KB | 1 | |
| 13:13, 8 February 2011 | MO3b.JPG (file) |  |
15 KB | 1 | |
| 13:12, 8 February 2011 | MO2b.JPG (file) |  |
16 KB | 1 | |
| 13:11, 8 February 2011 | MO1ba.JPG (file) |  |
13 KB | 1 | |
| 13:06, 8 February 2011 | BH3 Mo diagram with energies.JPG (file) |  |
45 KB | 1 | |
| 13:03, 8 February 2011 | Axial system and symmetry elements for BH3.JPG (file) |  |
27 KB | 1 | |
| 02:41, 4 February 2011 | Cisopt2advfrequency.out (file) |  |
95 KB | 1 | |
| 02:38, 4 February 2011 | IR cis CO.JPG (file) |  |
69 KB | 1 | |
| 02:38, 4 February 2011 | IR cis.JPG (file) |  |
56 KB | 1 | |
| 00:55, 3 February 2011 | Irspectrumtrans.JPG (file) |  |
52 KB | 1 | |
| 00:42, 3 February 2011 | Trans2optadvfreq.out (file) | |
94 KB | 1 | |
| 20:03, 1 February 2011 | INESRHEINBERGER BH3 FREQ.LOG (file) | |
45 KB | 1 | |
| 19:26, 1 February 2011 | BH3 molvib.mol (file) | |
437 bytes | 1 | |
| 19:24, 1 February 2011 | BH3 molecule 1st optimisqtion.chk (file) | |
524 KB | 1 | |
| 23:18, 31 January 2011 | Optimised parameters bh3.JPG (file) |  |
39 KB | 1 | |
| 23:14, 31 January 2011 | Forces converged.JPG (file) |  |
28 KB | 1 | |
| 23:13, 31 January 2011 | Summary BH3 optimisation.txt (file) |  |
464 bytes | 1 | |
| 23:09, 31 January 2011 | BH3optimisation.LOG (file) | |
47 KB | 1 | |
| 23:01, 31 January 2011 | Summary BH3 ptimisation.txt (file) | |
464 bytes | 1 | |
| 22:59, 31 January 2011 | SummaryTlBr3optimisation2.txt (file) | |
443 bytes | 1 | |
| 22:57, 31 January 2011 | TLBR3OPTIMISATION2.LOG (file) | |
42 KB | 1 | |
| 21:57, 31 January 2011 | BH3 MOLECULE 1ST OPTIMISQTION.LOG (file) | |
47 KB | 1 | |
| 21:05, 31 January 2011 | Optimisation plots.JPG (file) |  |
86 KB | 1 | |
| 13:45, 29 January 2011 | Nmr correct.JPG (file) |  |
62 KB | 1 | |
| 05:35, 29 January 2011 | 1.5Bisomerir.mol2 (file) | |
3 KB | 1 | |
| 05:31, 29 January 2011 | 1.4Aisomerir.mol2 (file) | |
3 KB | 1 | |
| 05:30, 29 January 2011 | 1.4Aisomer.mol2 (file) | |
3 KB | 1 | |
| 05:26, 29 January 2011 | 1,4A.mol (file) | |
3 KB | 1 | |
| 12:07, 28 January 2011 | 1,4 numbered.jpg (file) |  |
31 KB | 1 | |
| 12:06, 28 January 2011 | 1,5 numbered.jpg (file) |  |
30 KB | 1 | |
| 12:04, 28 January 2011 | Project scheme.JPG (file) |  |
32 KB | 1 | |
| 12:00, 28 January 2011 | Mechanism diazole.JPG (file) |  |
31 KB | 1 | |
| 11:03, 28 January 2011 | Monoeneir.jpg (file) |  |
35 KB | 1 | |
| 11:02, 28 January 2011 | Dieneir.jpg (file) |  |
35 KB | 1 | |
| 10:54, 28 January 2011 | Frequencies mono diene.JPG (file) |  |
46 KB | 1 | |
| 10:51, 28 January 2011 | LUMO +2 PM6.jpg (file) |  |
6 KB | 1 | |
| 10:51, 28 January 2011 | LUMO +1 PM6.jpg (file) |  |
6 KB | 1 | |
| 10:49, 28 January 2011 | LUMO PM6.jpg (file) |  |
6 KB | 2 | |
| 10:48, 28 January 2011 | HOMO -1 PM6.jpg (file) |  |
6 KB | 1 | |
| 10:47, 28 January 2011 | HOMO PM6.jpg (file) |  |
6 KB | 1 |
