Uploads by Pnr08
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:56, 18 February 2011 | Pnrboat.jpg (file) |  |
78 KB | Boat structure | 1 |
| 16:55, 18 February 2011 | Pnrchair.jpg (file) |  |
71 KB | Chair structure | 1 |
| 16:06, 18 February 2011 | Pnrexo ts homo.jpg (file) |  |
94 KB | Exo ts HOMO | 1 |
| 16:06, 18 February 2011 | Pnrendo ts homo.jpg (file) |  |
88 KB | Endo ts HOMO | 1 |
| 16:00, 18 February 2011 | Exo ts.mol (file) |  |
2 KB | Exo ts | 4 |
| 15:59, 18 February 2011 | Endo ts.mol (file) | |
2 KB | Endo ts | 3 |
| 15:25, 18 February 2011 | Bigda.gif (file) |  |
6 KB | The reaction between cyclohexa-1,3-diene and maleic anhydride | 1 |
| 14:25, 18 February 2011 | Basicts.mol (file) | |
2 KB | Diels Alder transition state | 1 |
| 14:06, 18 February 2011 | Cis lumo.jpg (file) |  |
72 KB | LUMO of 1,3-butadiene | 1 |
| 14:06, 18 February 2011 | Cis homo.jpg (file) |  |
73 KB | Homo of 1,3-butadiene | 1 |
| 13:53, 18 February 2011 | Dielsalder.gif (file) |  |
2 KB | Diels Alder Reaction between 1,3-butadiene and Ethene | 1 |
| 13:37, 18 February 2011 | Boat vib.gif (file) |  |
670 KB | Boat reaction coordinate vibration | 1 |
| 13:00, 18 February 2011 | Pnroutput.mol (file) | |
2 KB | The reactant/product conformation | 1 |
| 12:51, 18 February 2011 | Graphs.jpg (file) |  |
125 KB | IRC Graphs | 1 |
| 09:32, 18 February 2011 | Chair1 vib.gif (file) |  |
961 KB | The reaction coordinate vibration for the chair transition state | 1 |
| 17:59, 17 February 2011 | 1 guess2 anti1 output.mol (file) | |
2 KB | A lower energy anti conformation | 1 |
| 17:22, 17 February 2011 | 1 react gauche4 output.mol (file) | |
2 KB | An example of a gauche conformation | 2 |
| 17:21, 17 February 2011 | 1 react anti2 output.mol (file) | |
2 KB | An example of an anti conformation | 2 |
| 16:08, 15 February 2011 | Pnrcope.gif (file) |  |
2 KB | The cope rearrangement of 1,5-hexadiene | 2 |
| 17:02, 8 February 2011 | PnrTLBR3 VIB.LOG (file) | |
121 KB | TlBr3 Vibration output | 1 |
| 17:01, 8 February 2011 | PnrTLBR3 OPT.LOG (file) | |
42 KB | TlBr3 optimisation log file | 1 |
| 17:00, 8 February 2011 | Pnr08BH3 VIB.LOG (file) | |
45 KB | Bh3 vibration log file | 1 |
| 16:59, 8 February 2011 | Pnr08BH3 OPT.LOG (file) | |
46 KB | Bh3 optimisation log file | 1 |
| 16:37, 8 February 2011 | Transspectrum.jpg (file) |  |
42 KB | Calculated IR spectrum of trans complex | 1 |
| 16:37, 8 February 2011 | Cisspectrum.jpg (file) |  |
50 KB | Calculated IR spectrum of cis complex | 1 |
| 16:18, 8 February 2011 | Unsub.mol (file) | |
1 KB | Unsubstituted borazine | 1 |
| 16:18, 8 February 2011 | Nsub.mol (file) | |
1 KB | N-substituted borazine | 1 |
| 16:18, 8 February 2011 | Bsub.mol (file) | |
1 KB | B-fluorinated borazine | 1 |
| 16:17, 8 February 2011 | 6sub.mol (file) | |
1 KB | Fully fluorinated borazine | 1 |
| 16:07, 8 February 2011 | Cis4.gif (file) |  |
598 KB | 4th CO stretch in the cis complex | 1 |
| 16:06, 8 February 2011 | Cis3.gif (file) |  |
600 KB | 3rd CO stretch in the cis complex | 1 |
| 16:05, 8 February 2011 | Cis2.gif (file) |  |
600 KB | 2nd CO stretch in the cis complex | 1 |
| 16:05, 8 February 2011 | Cis1.gif (file) |  |
599 KB | 1st CO stretch in the cis complex | 1 |
| 16:01, 8 February 2011 | Trans4.gif (file) |  |
588 KB | 4th CO stretch in the trans complex | 1 |
| 16:00, 8 February 2011 | Trans3.gif (file) |  |
588 KB | 3rd CO stretch in the trans complex | 1 |
| 16:00, 8 February 2011 | Trans2.gif (file) |  |
589 KB | 2nd CO stretch in the trans complex | 1 |
| 15:59, 8 February 2011 | Trans1.gif (file) |  |
588 KB | 1st CO stretch in the trans complex | 1 |
| 15:40, 8 February 2011 | 2028.gif (file) |  |
589 KB | Vibration at 20.28cm-1 | 1 |
| 15:40, 8 February 2011 | 1173.gif (file) |  |
588 KB | Vibration at 11.73cm-1 | 1 |
| 15:38, 8 February 2011 | 697.gif (file) |  |
553 KB | Vibration at 697cm-1 | 1 |
| 15:35, 8 February 2011 | 445.gif (file) |  |
521 KB | Vibration at 4.45cm-1 | 1 |
| 15:31, 8 February 2011 | Pnr08trans.mol (file) | |
2 KB | Optimised structure of the trans complex | 1 |
| 15:29, 8 February 2011 | Pnr08cis.mol2 (file) | |
1 KB | Optimised structure of cis Mo complex | 1 |
| 15:05, 8 February 2011 | Tlbr2spectrum.jpg (file) |  |
48 KB | Calculated IR spectrum of TlBr3 | 1 |
| 15:00, 8 February 2011 | BH3spectrum.jpg (file) |  |
56 KB | Calculated IR spectrum of BH3 | 1 |
| 00:19, 8 February 2011 | Borazine nsub energy.gif (file) |  |
20 KB | Energy level diagram of N-fluorinated borazine | 2 |
| 00:17, 8 February 2011 | Borazine bsub energy.gif (file) |  |
17 KB | Energy level diagram of B-fluorinated borazine | 2 |
| 00:15, 8 February 2011 | Borazine 6sub energy.gif (file) |  |
18 KB | Energy level diagram of hexafluorinated borazine | 3 |
| 00:00, 8 February 2011 | Borazine energy.gif (file) |  |
19 KB | Energy level diagram of borazine | 3 |
| 13:15, 7 February 2011 | Pnr30.gif (file) |  |
1,010 KB | Vibration 30 | 1 |
