Uploads by Lw507
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 17:10, 22 February 2010 | CIS BUTADIENE DFT 6-31G.LOG (file) |  |
82 KB | 1 | |
| 17:09, 22 February 2010 | CIS BUTADIENE 31G.LOG (file) | |
91 KB | 1 | |
| 17:04, 22 February 2010 | HOMO 631G.JPG (file) |  |
8 KB | 1 | |
| 17:03, 22 February 2010 | HOMO AM1.JPG (file) |  |
8 KB | 1 | |
| 17:02, 22 February 2010 | LUMO 631G.JPG (file) |  |
9 KB | 1 | |
| 17:02, 22 February 2010 | LUMO AM1.JPG (file) |  |
9 KB | 1 | |
| 16:09, 22 February 2010 | Summary dielsalder cisbutadiene.JPG (file) |  |
61 KB | 1 | |
| 16:06, 22 February 2010 | Cis butadiene DFT.JPG (file) |  |
8 KB | 1 | |
| 16:03, 22 February 2010 | Cis butadiene 321G.JPG (file) |  |
8 KB | 1 | |
| 15:58, 22 February 2010 | Cis butadiene AM1.JPG (file) |  |
8 KB | 1 | |
| 21:30, 21 February 2010 | CHAIR TS B3LYP.LOG (file) | |
189 KB | 1 | |
| 21:28, 21 February 2010 | BOAT OPT TS B3LYP.LOG (file) | |
213 KB | 1 | |
| 21:23, 21 February 2010 | CHAIR TS OPT+FREQ,FREEZE.LOG (file) | |
4 KB | 1 | |
| 21:22, 21 February 2010 | CHAIR TS OPT+FREQ.LOG (file) | |
323 KB | 1 | |
| 21:19, 21 February 2010 | REACT COPE ANTI 2 DFT.LOG (file) | |
142 KB | 1 | |
| 21:03, 21 February 2010 | 631G 321G comp chair.JPG (file) |  |
39 KB | 1 | |
| 20:57, 21 February 2010 | 631G 321G comp boat.JPG (file) |  |
41 KB | 1 | |
| 20:54, 21 February 2010 | B3LYP chair.JPG (file) |  |
11 KB | 1 | |
| 20:53, 21 February 2010 | B3LYP boat.JPG (file) |  |
11 KB | 1 | |
| 20:38, 21 February 2010 | Summary forceeverystep IRC.JPG (file) |  |
21 KB | 1 | |
| 20:35, 21 February 2010 | Force everystep IRC.JPG (file) |  |
41 KB | 1 | |
| 20:21, 21 February 2010 | Irc50 minimisation.JPG (file) |  |
31 KB | 1 | |
| 20:10, 21 February 2010 | IRC 50.JPG (file) |  |
58 KB | 1 | |
| 19:27, 21 February 2010 | 321G comparison boat chair.JPG (file) |  |
41 KB | 1 | |
| 19:22, 21 February 2010 | Boat ts opt and freq.JPG (file) |  |
20 KB | 1 | |
| 19:14, 21 February 2010 | Opt and freq boat.mol (file) | |
1 KB | 1 | |
| 19:08, 21 February 2010 | Boat ts QTS2 optandfreq.JPG (file) |  |
9 KB | 1 | |
| 19:02, 21 February 2010 | Boat proper conf.JPG (file) |  |
10 KB | 1 | |
| 18:44, 21 February 2010 | Fail boat.JPG (file) |  |
10 KB | 1 | |
| 18:27, 21 February 2010 | QTS2 anti-2 reactandprod.JPG (file) |  |
8 KB | 1 | |
| 16:50, 21 February 2010 | Results summary freeze comparison.JPG (file) |  |
41 KB | 1 | |
| 16:42, 21 February 2010 | Chair ts optandfreqfrozen.JPG (file) |  |
10 KB | 1 | |
| 15:15, 21 February 2010 | Cope aromatic mechanism.JPG (file) |  |
10 KB | 2 | |
| 14:53, 21 February 2010 | Chair opt+freq ts .mol (file) | |
1 KB | 2 | |
| 14:35, 21 February 2010 | Freq analysis chair ts.JPG (file) |  |
26 KB | 1 | |
| 14:09, 21 February 2010 | Results summary ts optfreq chair.JPG (file) |  |
20 KB | 1 | |
| 14:02, 21 February 2010 | Chair ts optandfreq.JPG (file) |  |
8 KB | 1 | |
| 12:32, 21 February 2010 | Chair ts guess .bmp (file) |  |
10 KB | 1 | |
| 21:11, 20 February 2010 | IR hexadiene anti 2.JPG (file) |  |
23 KB | 1 | |
| 19:20, 20 February 2010 | Results summary DFT HF anti 2.JPG (file) |  |
41 KB | 1 | |
| 18:16, 20 February 2010 | Results summary gauche 3.JPG (file) |  |
21 KB | 1 | |
| 18:15, 20 February 2010 | Results summary anti 2.JPG (file) |  |
21 KB | 1 | |
| 18:08, 20 February 2010 | Gauche 3 hexadiene.JPG (file) |  |
10 KB | 1 | |
| 18:02, 20 February 2010 | Anti 2 hexadiene.JPG (file) |  |
9 KB | 1 | |
| 17:32, 20 February 2010 | Gaucheanti confomers.JPG (file) |  |
11 KB | 1 | |
| 16:49, 20 February 2010 | Chem draw cope mech.JPG (file) |  |
14 KB | 1 | |
| 16:50, 10 February 2010 | Cisplatin 2DZ.JPG (file) |  |
5 KB | 1 | |
| 16:47, 10 February 2010 | Cisplatin opt dz.JPG (file) |  |
24 KB | 1 | |
| 16:04, 10 February 2010 | Diiodoplatin 2DZ.JPG (file) |  |
5 KB | 1 | |
| 16:02, 10 February 2010 | Diiodoplatin 2MB.JPG (file) |  |
5 KB | 1 |
