Uploads by Qaa12
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 20:23, 13 November 2014 | NH3BH3 symm convergence.jpg (file) |  |
45 KB | 1 | |
| 20:22, 13 November 2014 | NH3BH3 symm summary.jpg (file) |  |
42 KB | 1 | |
| 20:20, 13 November 2014 | QA NH3BH3 symm.log (file) |  |
114 KB | 1 | |
| 20:02, 13 November 2014 | QA NH3 BH3 opt.mol (file) | |
811 bytes | 1 | |
| 20:02, 13 November 2014 | NH3BH3 opt convergence.jpg (file) |  |
49 KB | 1 | |
| 20:01, 13 November 2014 | NH3BH3 opt summary.jpg (file) |  |
42 KB | 1 | |
| 19:59, 13 November 2014 | QA NH3 BH3 OPT.LOG (file) | |
110 KB | 1 | |
| 19:10, 13 November 2014 | NH3 NBO summary 4.jpg (file) |  |
38 KB | 1 | |
| 19:10, 13 November 2014 | NH3 NBO summary 3.jpg (file) |  |
65 KB | 1 | |
| 19:10, 13 November 2014 | NH3 NBO summary 2.jpg (file) |  |
156 KB | 1 | |
| 19:10, 13 November 2014 | NH3 NBO summary 1.png (file) |  |
11 KB | 1 | |
| 18:52, 13 November 2014 | NH3 charge numbers.png (file) |  |
12 KB | 1 | |
| 18:50, 13 November 2014 | NH3 charge colours.png (file) |  |
9 KB | 1 | |
| 18:47, 13 November 2014 | QA NH3 charge.mol (file) | |
435 bytes | 1 | |
| 18:46, 13 November 2014 | NH3 colour range.png (file) |  |
13 KB | 1 | |
| 15:28, 13 November 2014 | NH3 freq IR.png (file) |  |
12 KB | 1 | |
| 15:24, 13 November 2014 | NH3 low frequencies.png (file) |  |
5 KB | 1 | |
| 15:23, 13 November 2014 | QA NH3 FREQUENCY.LOG (file) | |
25 KB | 1 | |
| 15:19, 13 November 2014 | QA NH3 Symm convergence.png (file) |  |
11 KB | 1 | |
| 15:19, 13 November 2014 | QA NH3 Symm summary.png (file) |  |
10 KB | 1 | |
| 15:18, 13 November 2014 | QA NH3 symm.log (file) | |
21 KB | 1 | |
| 15:17, 13 November 2014 | QA NH3 OPT.mol (file) | |
441 bytes | 1 | |
| 15:16, 13 November 2014 | QA NH3 convergence.png (file) |  |
11 KB | 1 | |
| 15:15, 13 November 2014 | QA NH3 summary.png (file) |  |
10 KB | 1 | |
| 15:15, 13 November 2014 | QA NH3 OPT.LOG (file) | |
94 KB | 1 | |
| 14:39, 13 November 2014 | MO8.png (file) |  |
18 KB | 4 | |
| 14:38, 13 November 2014 | MO6.png (file) |  |
19 KB | 4 | |
| 11:58, 13 November 2014 | GaBr3 freq IR.jpg (file) |  |
72 KB | 1 | |
| 11:57, 13 November 2014 | GaBr3 lowfrequencies.jpg (file) |  |
21 KB | 1 | |
| 11:57, 13 November 2014 | GaBr3 freq summary.jpg (file) |  |
42 KB | 1 | |
| 11:04, 13 November 2014 | Bh3 Frequency IR.jpg (file) |  |
80 KB | 1 | |
| 10:45, 13 November 2014 | QA BH3 frequency.mol (file) | |
438 bytes | 1 | |
| 10:43, 13 November 2014 | Bh3 Frequency.jpg (file) |  |
39 KB | 1 | |
| 10:42, 13 November 2014 | Bh3 Frequency summary.jpg (file) |  |
40 KB | 1 | |
| 10:41, 13 November 2014 | QA BH3 FREQUENCY.LOG (file) | |
26 KB | 1 | |
| 14:54, 11 November 2014 | QA BBr3 optimisation GEN.mol (file) | |
446 bytes | 1 | |
| 14:54, 11 November 2014 | BBr3 pp convergence.jpg (file) |  |
51 KB | 1 | |
| 14:53, 11 November 2014 | BBr3 pp summary.jpg (file) |  |
39 KB | 1 | |
| 14:31, 11 November 2014 | QA GaBr3 pp Optimisation.mol (file) | |
466 bytes | y3 lab | 1 |
| 14:29, 11 November 2014 | GaBr3 pp convergence.jpg (file) |  |
52 KB | 1 | |
| 14:28, 11 November 2014 | GaBr3 pp summary.jpg (file) |  |
39 KB | 1 | |
| 21:01, 10 November 2014 | QA BH3 OPT 631G dp.mol (file) | |
452 bytes | 1 | |
| 20:57, 10 November 2014 | BH3 631G dp convergence.jpg (file) |  |
52 KB | 1 | |
| 20:57, 10 November 2014 | BH3 631G dp summary.jpg (file) |  |
40 KB | 1 | |
| 20:56, 10 November 2014 | QA BH3 OPT 631G DP.LOG (file) | |
71 KB | 1 | |
| 15:49, 10 November 2014 | QA BH3 OPT2.LOG (file) | |
69 KB | 1 | |
| 15:36, 10 November 2014 | QA BH3 OPT2.mol (file) | |
441 bytes | 1 | |
| 15:23, 10 November 2014 | BH3 convergence.jpg (file) |  |
53 KB | 1 | |
| 15:14, 10 November 2014 | BH3 summary.jpg (file) |  |
44 KB | 2 | |
| 13:52, 10 November 2014 | Benzene.jpg (file) |  |
4 KB | 3 |
