Uploads by Ss8810
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 18:08, 2 November 2012 | Boat opt 2.mol (file) |  |
2 KB | 1 | |
| 17:26, 2 November 2012 | CHAIR TS 2.mol (file) | |
2 KB | 1 | |
| 16:59, 2 November 2012 | Irc chair graph.PNG (file) |  |
17 KB | 1 | |
| 16:56, 2 November 2012 | Irc chair.PNG (file) |  |
20 KB | 1 | |
| 16:43, 2 November 2012 | OPT BOAT QST2.mol (file) | |
2 KB | 1 | |
| 16:38, 2 November 2012 | CHAIR TS GUESS OPT FROZENCOORDIANTE 2.mol (file) | |
2 KB | 1 | |
| 16:29, 2 November 2012 | CHAIR TS GUESS OPT+FREQ.mol (file) | |
2 KB | 1 | |
| 16:23, 2 November 2012 | C3H5 OPT HF 321G.mol (file) | |
817 bytes | 1 | |
| 16:07, 2 November 2012 | 15HEXADIENE REACT ANTI CI B3LYP631G.mol (file) | |
2 KB | 1 | |
| 16:02, 2 November 2012 | 15HEXADIENE REACT ANTI CI.mol (file) | |
2 KB | 1 | |
| 15:48, 2 November 2012 | Anti33.PNG (file) |  |
12 KB | 1 | |
| 15:46, 2 November 2012 | Anti22.PNG (file) |  |
13 KB | 1 | |
| 15:30, 2 November 2012 | 15HEXADIENE REACT GAUCHE.mol (file) | |
2 KB | 1 | |
| 15:27, 2 November 2012 | 15HEXADIENE REACT ANTI.mol (file) | |
2 KB | 1 | |
| 14:28, 2 November 2012 | Endo HOMO2.PNG (file) |  |
54 KB | 1 | |
| 14:25, 2 November 2012 | Exo HOMO2.PNG (file) |  |
54 KB | 1 | |
| 14:13, 2 November 2012 | Endo bond length.PNG (file) |  |
27 KB | 1 | |
| 14:12, 2 November 2012 | Exobondlength.PNG (file) |  |
27 KB | 1 | |
| 13:56, 2 November 2012 | Endo OPT TS.mol (file) | |
2 KB | 1 | |
| 13:39, 2 November 2012 | Endo opt am1.mol (file) | |
2 KB | 1 | |
| 13:31, 2 November 2012 | Exo opt ts.mol (file) | |
2 KB | 1 | |
| 13:22, 2 November 2012 | Exo opt am1.mol (file) | |
2 KB | 1 | |
| 12:17, 2 November 2012 | Opt min exo ts.mol (file) | |
1 KB | 1 | |
| 11:10, 2 November 2012 | OPT MIN EXO.mol (file) | |
1 KB | 1 | |
| 10:19, 2 November 2012 | Dielsalder ts lowposfreq.gif (file) |  |
424 KB | 1 | |
| 10:14, 2 November 2012 | Dielsalder ts negfreq.gif (file) |  |
456 KB | 1 | |
| 10:12, 2 November 2012 | Dielsalder tsberny optfreq.log (file) | |
782 KB | 1 | |
| 09:58, 2 November 2012 | Dielsalder ts geom.PNG (file) |  |
23 KB | 1 | |
| 09:56, 2 November 2012 | Dielsalder tsberny optfreq LUMO.PNG (file) |  |
62 KB | 1 | |
| 09:55, 2 November 2012 | Dielsalder tsberny optfreq HOMO.PNG (file) |  |
66 KB | 1 | |
| 21:38, 1 November 2012 | Dielsalder tsberny optfreq.mol (file) | |
2 KB | 1 | |
| 21:23, 1 November 2012 | Dielsalder ts guess22.PNG (file) |  |
35 KB | 1 | |
| 21:23, 1 November 2012 | Dielsalder ts guess.PNG (file) |  |
31 KB | 1 | |
| 17:42, 1 November 2012 | Lumo cisbutadiene.PNG (file) |  |
85 KB | 1 | |
| 17:41, 1 November 2012 | Homo cisbutadiene.PNG (file) |  |
94 KB | 1 | |
| 10:13, 19 October 2012 | BBR3 opt GEN.LOG (file) | |
44 KB | 1 | |
| 08:38, 19 October 2012 | BH3 opt.LOG (file) | |
47 KB | 1 | |
| 08:35, 19 October 2012 | BH3 opt 631G DP.LOG (file) | |
40 KB | 1 | |
| 19:12, 18 October 2012 | Borazine nbo chargedistribution.PNG (file) |  |
84 KB | 1 | |
| 19:11, 18 October 2012 | Borazine nbo charges.PNG (file) |  |
101 KB | 1 | |
| 19:09, 18 October 2012 | Borazine nbo summary.PNG (file) |  |
11 KB | 1 | |
| 19:03, 18 October 2012 | BORAZINE freq.mol (file) | |
1 KB | 1 | |
| 19:02, 18 October 2012 | BORAZINE freq summary.PNG (file) |  |
12 KB | 1 | |
| 18:49, 18 October 2012 | BORAZINE 631G OPT.mol (file) | |
1 KB | 1 | |
| 18:48, 18 October 2012 | Borazine 631g opt.PNG (file) |  |
12 KB | 1 | |
| 18:40, 18 October 2012 | Borazine 321g opt.mol (file) | |
1 KB | 2 | |
| 18:35, 18 October 2012 | Borazine 321g optimisation summary.PNG (file) |  |
12 KB | 2 | |
| 17:35, 18 October 2012 | Pyridinium nbo chargedistribution.PNG (file) |  |
91 KB | 1 | |
| 17:32, 18 October 2012 | Pyridinium nbo charges.PNG (file) |  |
94 KB | 1 | |
| 17:32, 18 October 2012 | Pyridinium nbo summary.PNG (file) |  |
11 KB | 1 |
