Uploads by Dgp12
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 19:37, 21 October 2014 | -N(CH3)4-+ converge.PNG (file) | 4-%2B_converge.PNG){kind=small} |
5 KB | 1 | |
| 19:36, 21 October 2014 | -N(CH3)4-+ summary.PNG (file) | 4-%2B_summary.PNG) |
10 KB | 1 | |
| 14:20, 17 October 2014 | BH3 MO dgp.PNG (file) |  |
103 KB | 1 | |
| 14:19, 17 October 2014 | BH3 MO dgp.cdx (file) |  |
1.23 MB | 1 | |
| 13:58, 17 October 2014 | NH3BH3 frq dgp low.PNG (file) |  |
3 KB | 1 | |
| 13:57, 17 October 2014 | NH3BH3 frq dgp summary.PNG (file) |  |
10 KB | 1 | |
| 13:55, 17 October 2014 | NH3BH3 DGP12 OPT 2.LOG (file) | |
29 KB | 1 | |
| 13:55, 17 October 2014 | NH3BH3 DGP OPT 2.mol (file) | |
820 bytes | 1 | |
| 13:54, 17 October 2014 | NH3BH3 opt dgp conver.PNG (file) |  |
6 KB | 1 | |
| 13:54, 17 October 2014 | NH3BH3 opt dgp summary.PNG (file) |  |
10 KB | 1 | |
| 13:48, 17 October 2014 | DGP BH3OPT3-21G V2.LOG (file) | |
32 KB | 1 | |
| 13:47, 17 October 2014 | DGP BH3 OPT3-21G V2.mol (file) | |
449 bytes | 1 | |
| 13:47, 17 October 2014 | DGP BH3 OPT3-21G 2 convergence.PNG (file) |  |
6 KB | 1 | |
| 13:45, 17 October 2014 | DGP BH3 OPT3-21G 2 summary.PNG (file) |  |
10 KB | 1 | |
| 11:54, 17 October 2014 | NH3 frq dgp low.PNG (file) |  |
3 KB | 1 | |
| 11:53, 17 October 2014 | NH3 frq dgp summary.PNG (file) |  |
10 KB | 1 | |
| 09:46, 17 October 2014 | DGP BH3 OPT 6-31G NUMBERINO2.LOG (file) | |
21 KB | 1 | |
| 09:46, 17 October 2014 | DGP BH3 OPT6-31G.2 convergence.PNG (file) |  |
6 KB | 1 | |
| 09:45, 17 October 2014 | DGP BH3 OPT6-31G.2 summary.PNG (file) |  |
10 KB | 1 | |
| 09:37, 17 October 2014 | NH3 IRspectrum.PNG (file) |  |
8 KB | 1 | |
| 09:30, 17 October 2014 | NH3 DGP OPT.LOG (file) | |
18 KB | 1 | |
| 09:29, 17 October 2014 | NH3 opt dgp summary.PNG (file) |  |
10 KB | 1 | |
| 09:27, 17 October 2014 | NH3 DGP OPT.mol (file) | |
441 bytes | 1 | |
| 09:26, 17 October 2014 | NH3 opt dgp conver.PNG (file) |  |
5 KB | 1 | |
| 09:25, 17 October 2014 | DGP BH3 OPT3-21G summary.PNG (file) |  |
10 KB | 2 | |
| 20:02, 16 October 2014 | GaBr3 IR spectrum.PNG (file) |  |
9 KB | 2 | |
| 19:47, 16 October 2014 | GaBr3 low freq.PNG (file) |  |
3 KB | 1 | |
| 19:46, 16 October 2014 | GaBr3 freq summary.PNG (file) |  |
10 KB | 1 | |
| 19:45, 16 October 2014 | DGP GaBr3 pp optimisation frq.log (file) | |
27 KB | 1 | |
| 18:55, 16 October 2014 | DGP BH3 OPT 6-31G NUMBERINO3 FREQ.LOG (file) | |
26 KB | 1 | |
| 18:54, 16 October 2014 | BH3 low freq.PNG (file) |  |
3 KB | 1 | |
| 13:44, 14 October 2014 | DGP BBr3 pp optimisation.log (file) | |
50 KB | 1 | |
| 13:44, 14 October 2014 | DGP BBr3 pp opt.mol (file) | |
442 bytes | 1 | |
| 13:44, 14 October 2014 | DGP BBr3 pp opt convergence.PNG (file) |  |
5 KB | 1 | |
| 13:43, 14 October 2014 | DGP BBr3 pp opt summary.PNG (file) |  |
9 KB | 1 | |
| 13:17, 14 October 2014 | DGP GaBr3 pp optimisation.log (file) | |
41 KB | 1 | |
| 13:16, 14 October 2014 | DGP GaBr3 pseudopot opt.mol (file) | |
466 bytes | 1 | |
| 12:58, 14 October 2014 | DGP GaBr3 pp opt convergence.PNG (file) |  |
5 KB | 1 | |
| 12:57, 14 October 2014 | DGP GaBr3 pp opt summary.PNG (file) |  |
10 KB | 1 | |
| 12:14, 14 October 2014 | DGP BH3 OPT 3-21G.mol (file) | |
377 bytes | 1 | |
| 12:13, 14 October 2014 | DGP BH3 OPT3-21G convergence.PNG (file) |  |
6 KB | 1 | |
| 12:12, 14 October 2014 | DGP BH3 OPT3-21G.LOG (file) | |
69 KB | 1 | |
| 12:06, 14 October 2014 | DGP BH3 OPT 6-31G.LOG (file) | |
70 KB | 1 | |
| 12:01, 14 October 2014 | DGP BH3 OPT6-31G.mol (file) | |
446 bytes | 1 | |
| 12:00, 14 October 2014 | DGP BH3 OPT6-31G convergence.PNG (file) |  |
5 KB | 1 | |
| 12:00, 14 October 2014 | DGP BH3 OPT6-31G summary.PNG (file) |  |
10 KB | 1 | |
| 19:54, 13 October 2014 | DGP12 BH3 OPT.mol (file) | |
441 bytes | 1 | |
| 19:48, 13 October 2014 | BH3 convergence.PNG (file) |  |
6 KB | 1 | |
| 19:45, 13 October 2014 | BH3 sumary.PNG (file) |  |
10 KB | 1 | |
| 19:39, 13 October 2014 | DGP BH3 OPT.log.LOG (file) | |
21 KB | 1 |
