Uploads by Ny210
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 20:30, 28 October 2012 | Boat 631g optimisationmol.mol (file) |  |
2 KB | 1 | |
| 20:26, 28 October 2012 | CHAIR 631G FREQUENCY.LOG (file) | |
79 KB | 1 | |
| 20:25, 28 October 2012 | Chair 631g vibration.gif (file) |  |
889 KB | 1 | |
| 20:25, 28 October 2012 | CHAIR 631G.LOG (file) | |
225 KB | 2 | |
| 20:14, 28 October 2012 | CHAIR 631Gmol.mol (file) | |
2 KB | 1 | |
| 20:14, 28 October 2012 | CH2CHCH2 OPTIMISATIONmol.mol (file) | |
822 bytes | 2 | |
| 19:47, 28 October 2012 | Chair irc 150.gif (file) |  |
281 KB | 1 | |
| 19:47, 28 October 2012 | Chair irc normal minimization.gif (file) |  |
81 KB | 1 | |
| 19:47, 28 October 2012 | Chair irc redo.gif (file) |  |
144 KB | 1 | |
| 19:44, 28 October 2012 | CHAIR IRC REDO.LOG (file) | |
138 KB | 1 | |
| 19:44, 28 October 2012 | CHAIR IRC NORMAL MINIMIZATION.LOG (file) | |
186 KB | 1 | |
| 19:44, 28 October 2012 | CHAIR IRC 150.LOG (file) | |
592 KB | 1 | |
| 19:44, 28 October 2012 | CHAIR IRC 100.LOG (file) | |
592 KB | 1 | |
| 17:42, 28 October 2012 | RMS-IRC.PNG (file) |  |
17 KB | 2 | |
| 17:42, 28 October 2012 | Energy-IRC.PNG (file) |  |
15 KB | 2 | |
| 17:34, 28 October 2012 | CHAIR IRC.LOG (file) | |
592 KB | 1 | |
| 16:34, 28 October 2012 | Reactant vibration.gif (file) |  |
882 KB | 1 | |
| 16:30, 28 October 2012 | REACTANT QST2.LOG (file) | |
604 KB | 1 | |
| 16:30, 28 October 2012 | REACTANT QST2mol.mol (file) | |
2 KB | 1 | |
| 16:22, 28 October 2012 | Reactantproduct qst2 rearrange.PNG (file) |  |
138 KB | 1 | |
| 16:14, 28 October 2012 | Initial reactantproduct.PNG (file) |  |
102 KB | 1 | |
| 15:58, 28 October 2012 | CHAIR GUESS FREEZEOPTIMISATION.LOG (file) | |
484 KB | 1 | |
| 15:58, 28 October 2012 | CHAIR GUESS FREEZEOPTIMISATIONmol.mol (file) | |
2 KB | 1 | |
| 15:47, 28 October 2012 | Guess chair vibration animation.gif (file) |  |
906 KB | 1 | |
| 15:38, 28 October 2012 | CHAIR TS GUESS OPTIMIZATIONMOL.mol (file) | |
2 KB | 1 | |
| 15:38, 28 October 2012 | CHAIR TS GUESS OPTIMIZATION.LOG (file) | |
477 KB | 1 | |
| 15:15, 28 October 2012 | CH2CHCH2 OPTIMISATION.LOG (file) | |
75 KB | 1 | |
| 10:50, 28 October 2012 | Anti IR spectrum.PNG (file) |  |
45 KB | 1 | |
| 12:44, 27 October 2012 | HEXADIENE ANTIFREQUENCY.LOG (file) | |
79 KB | 1 | |
| 12:38, 27 October 2012 | ANTI2 REOPTIMISATIONmol.mol (file) | |
2 KB | 1 | |
| 11:46, 27 October 2012 | Hexadiene gaucheoptimisationmol.mol (file) | |
2 KB | 1 | |
| 11:46, 27 October 2012 | Hexadiene gaucheoptimisation.log (file) | |
216 KB | 1 | |
| 11:43, 27 October 2012 | Hexadiene antioptimisation.log (file) | |
365 KB | 1 | |
| 11:33, 27 October 2012 | Hexadiene antioptimisationmol.mol (file) | |
2 KB | 1 | |
| 11:21, 27 October 2012 | Cope rearrangement ny.PNG (file) |  |
5 KB | 1 | |
| 11:18, 27 October 2012 | Boat transition state.PNG (file) |  |
4 KB | 1 | |
| 11:18, 27 October 2012 | Chair transition state.PNG (file) |  |
3 KB | 1 | |
| 14:56, 19 October 2012 | Benzene pi MO.bmp (file) |  |
781 KB | 1 | |
| 12:06, 19 October 2012 | Pyridinium lumo.PNG (file) |  |
23 KB | 1 | |
| 12:02, 19 October 2012 | Pyridinium homo.PNG (file) |  |
21 KB | 1 | |
| 12:02, 19 October 2012 | Borazine lumo.PNG (file) |  |
28 KB | 2 | |
| 12:02, 19 October 2012 | Boratabenzene lumo.PNG (file) |  |
24 KB | 1 | |
| 12:02, 19 October 2012 | Boratabenzene homo.PNG (file) |  |
22 KB | 1 | |
| 12:02, 19 October 2012 | Benzene lumo.PNG (file) |  |
27 KB | 1 | |
| 12:02, 19 October 2012 | Benzene homo.PNG (file) |  |
24 KB | 1 | |
| 23:09, 18 October 2012 | Nh3bh3 ir spectrum.PNG (file) |  |
50 KB | 2 | |
| 23:07, 18 October 2012 | NH3BH3 OPTIMIZATIONmol.mol (file) | |
820 bytes | 1 | |
| 23:06, 18 October 2012 | Nh3bh3 frequency summary.PNG (file) |  |
13 KB | 1 | |
| 23:06, 18 October 2012 | Nh3bh3 optimization summary.PNG (file) |  |
14 KB | 1 | |
| 22:13, 18 October 2012 | B6.PNG (file) |  |
31 KB | 2 |
