Uploads by Jjs312
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 12:11, 9 March 2015 | JS NH3BH3 631G FREQ.LOG (file) |  |
38 KB | 2 | |
| 12:11, 9 March 2015 | JS NH3BH3 631G OPT.LOG (file) | |
29 KB | 3 | |
| 11:28, 9 March 2015 | JS Benzene 631g opt.mol (file) | |
1 KB | 1 | |
| 15:40, 6 March 2015 | JS NH3 BH3 IR.PNG (file) |  |
12 KB | 1 | |
| 15:30, 6 March 2015 | JS NH3BH3 631g opt.mol (file) | |
819 bytes | 1 | |
| 14:37, 6 March 2015 | JS Chargedistr NH3.PNG (file) |  |
41 KB | 1 | |
| 12:43, 6 March 2015 | JS IR NH3.PNG (file) |  |
25 KB | 1 | |
| 12:36, 6 March 2015 | NH3 631G FREQ.LOG (file) | |
26 KB | 2 | |
| 12:20, 6 March 2015 | JS NH3 631G OPT.mol (file) | |
441 bytes | 1 | |
| 12:19, 6 March 2015 | JS NH3 631G summ.PNG (file) |  |
10 KB | 1 | |
| 12:18, 6 March 2015 | NH3 631G OPT.LOG (file) | |
48 KB | 1 | |
| 12:19, 4 March 2015 | Mo.png (file) |  |
139 KB | 1 | |
| 17:50, 3 March 2015 | JS GABr3 freq summ.PNG (file) |  |
10 KB | 2 | |
| 17:33, 3 March 2015 | JS GABr3 freq spec.PNG (file) |  |
16 KB | 1 | |
| 17:25, 3 March 2015 | JS B3LYP LANL2DZ GaBr3 frequency.log (file) | |
27 KB | 1 | |
| 15:29, 3 March 2015 | JS BBr3 opt mixed pp.mol (file) | |
492 bytes | 1 | |
| 15:28, 3 March 2015 | JS BBr3 opt mixed ppsum.PNG (file) |  |
11 KB | 1 | |
| 15:26, 3 March 2015 | JS BBr3 opt mixed pp.log (file) | |
49 KB | 1 | |
| 15:06, 3 March 2015 | JS BH3 D3HFREQUENCY OPTIRSPECTRUM.PNG (file) |  |
27 KB | 1 | |
| 14:46, 3 March 2015 | JS BH3 D3HFREQUENCY OPTsummary.PNG (file) |  |
10 KB | 1 | |
| 14:42, 3 March 2015 | JS BH3 D3HFREQUENCY OPT.LOG (file) | |
26 KB | 1 | |
| 13:00, 3 March 2015 | JS GaBR3 pseudopotential opt1.mol (file) | |
466 bytes | 1 | |
| 12:53, 3 March 2015 | GaBR3 pseudopotential opt1.log (file) | |
41 KB | 1 | |
| 12:53, 3 March 2015 | GABr3 pseudopotential optimisation.PNG (file) |  |
10 KB | 1 | |
| 16:31, 2 March 2015 | JS BH3 OPT 631g dp.mol (file) | |
441 bytes | 1 | |
| 16:28, 2 March 2015 | JS BH3 OPT 631G DP.LOG (file) | |
31 KB | 2 | |
| 16:28, 2 March 2015 | BH3 optimisation summaryimage 631g.PNG (file) |  |
9 KB | 1 | |
| 16:01, 2 March 2015 | JS BH3 OPT.LOG (file) | |
69 KB | 7 | |
| 14:47, 2 March 2015 | JS bh3 opt.mol (file) | |
441 bytes | 1 | |
| 14:41, 2 March 2015 | BH3 optimisation summaryimage.PNG (file) |  |
10 KB | 1 | |
| 11:36, 5 December 2014 | VWDrepulsions.png (file) |  |
24 KB | 1 | |
| 21:03, 4 December 2014 | TSDFTvibTS3EXO.gif (file) |  |
861 KB | 1 | |
| 21:03, 4 December 2014 | TSDFTvibTS4ENDO.gif (file) |  |
823 KB | 1 | |
| 20:44, 4 December 2014 | ENDOTSORBITAL.png (file) |  |
38 KB | 1 | |
| 20:06, 4 December 2014 | ENDOTSORBdraw.png (file) |  |
11 KB | 2 | |
| 20:00, 4 December 2014 | ENDOTSORB.png (file) |  |
55 KB | 1 | |
| 18:04, 4 December 2014 | Orbitals.png (file) |  |
7 KB | 1 | |
| 18:01, 4 December 2014 | TSorbformation.png (file) |  |
102 KB | 1 | |
| 17:57, 3 December 2014 | Sterichindrance.png (file) |  |
106 KB | 1 | |
| 17:20, 3 December 2014 | SupercompTS4ENDODFT1.mol (file) | |
2 KB | 1 | |
| 16:24, 3 December 2014 | SupercompTS4ENDODFT.mol (file) | |
2 KB | 1 | |
| 16:24, 3 December 2014 | SupercompTS3EXODFT.mol (file) | |
2 KB | 1 | |
| 16:16, 3 December 2014 | Reactionscheme.png (file) |  |
7 KB | 3 | |
| 13:21, 3 December 2014 | TSDFTviblpf.gif (file) |  |
591 KB | 1 | |
| 12:27, 3 December 2014 | TSDFTVib.gif (file) |  |
588 KB | 1 | |
| 11:10, 3 December 2014 | CisbutadieneHForbitals1.png (file) |  |
39 KB | 1 | |
| 11:03, 3 December 2014 | CisbutadieneHForbitals.png (file) |  |
39 KB | 2 | |
| 10:40, 3 December 2014 | TSHFLUMO.png (file) |  |
41 KB | 1 | |
| 10:39, 3 December 2014 | TSHFHOMO.png (file) |  |
36 KB | 1 | |
| 21:16, 2 December 2014 | TSHF.mol (file) | |
2 KB | 1 |
