Uploads by Af706
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:17, 12 March 2010 | 3PHY ONIOM Optimisation Frequency EE.gjf (file) |  |
215 KB | 1 | |
| 15:38, 8 December 2009 | More charge B3LYP 6 31G(d).mol (file) | |
4 KB | 1 | |
| 14:11, 8 December 2009 | 1W7S FINALgjf.gjf (file) | |
404 KB | 1 | |
| 13:45, 7 December 2009 | More Charge B3LYP 6-31G(d).gjf (file) | |
2 KB | 1 | |
| 16:58, 3 December 2009 | 1W7S qeq opt ready.log (file) | |
2.59 MB | 2 | |
| 16:54, 3 December 2009 | 1W7S qeq opt ready.gjf (file) | |
277 KB | 1 | |
| 16:47, 3 December 2009 | 1W7S -6 qeq charges.log (file) | |
1.34 MB | 1 | |
| 16:45, 3 December 2009 | 1W7S -6 qeq charges.gjf (file) | |
402 KB | 1 | |
| 16:41, 3 December 2009 | 1W7S cleaned energy AMBER charges.log (file) | |
858 KB | 1 | |
| 16:37, 3 December 2009 | 1W7S cleaned wildcards frozen.gjf (file) | |
401 KB | 1 | |
| 16:26, 3 December 2009 | 1W7S cleaned pH 7.gjf (file) | |
401 KB | 1 | |
| 16:23, 3 December 2009 | 1W7S Chain A cleaned.gjf (file) | |
401 KB | 1 | |
| 16:20, 3 December 2009 | 1W7S Chain A.gjf (file) | |
401 KB | 1 | |
| 16:08, 3 December 2009 | 1W7S.pdb (file) | |
718 KB | 1 | |
| 13:58, 27 November 2009 | Chromopre molecule B3LYP 6-31G(d).mol (file) | |
5 KB | 1 | |
| 17:56, 26 November 2009 | Protein1 AMBER OPT qeq.mol (file) | |
5 KB | 1 | |
| 15:51, 24 November 2009 | Biomolecule1.mol (file) | |
5 KB | 2 | |
| 15:32, 24 November 2009 | Biomolecule 1.mol (file) | |
5 KB | 1 | |
| 13:38, 24 November 2009 | Protein no yes.mol (file) | |
4 KB | 1 | |
| 13:37, 24 November 2009 | Protein yes no.mol (file) | |
4 KB | 1 | |
| 13:30, 24 November 2009 | Protein yes yes.mol (file) | |
4 KB | 1 | |
| 17:36, 18 November 2009 | PDB PROTON.png (file) |  |
185 KB | 1 | |
| 17:35, 18 November 2009 | TINKER PROTON.png (file) |  |
202 KB | 1 | |
| 15:53, 9 November 2009 | Atoms involving undefined parameters.png (file) |  |
658 KB | 2 | |
| 15:04, 2 November 2009 | HBDI B3LYP 6-311G+(d,p) FREQ.mol2 (file) | |
2 KB | 1 | |
| 14:54, 2 November 2009 | BCl3 FREQ test.log (file) | |
29 KB | 1 | |
| 14:32, 2 November 2009 | HBDI B3LYP 6-311G+(d,p) FREQ.log (file) | |
290 KB | 1 | |
| 14:28, 2 November 2009 | HBDI B3LYP 6-311G+(d,p) FREQ.out (file) | |
290 KB | 2 | |
| 14:26, 2 November 2009 | HBDI B3LYP 6-311G+(d,p) FREQ.mol (file) | |
3 KB | 1 | |
| 14:23, 2 November 2009 | TRYLOG.LOG (file) | |
293 KB | 1 | |
| 14:21, 2 November 2009 | HBDI HF 6-31G(d).out (file) | |
293 KB | 3 | |
| 14:11, 2 November 2009 | HBDI HF 6-31G(d).log (file) | |
1.68 MB | 1 | |
| 14:03, 2 November 2009 | HBDI HF 6-31G(d).mol (file) | |
3 KB | 1 | |
| 18:28, 28 October 2009 | ONIOM B3LYP 6-311G AMBER2.mol (file) | |
4 KB | 1 | |
| 15:44, 28 October 2009 | ONIOM B3LYP 6-311G AMBER.mol (file) | |
4 KB | 2 | |
| 15:20, 28 October 2009 | HBDI MP2 6-31G FREQ.mol (file) | |
3 KB | 1 | |
| 15:15, 28 October 2009 | HBDI MP2 6-31G FREQ.out (file) | |
170 KB | 1 | |
| 12:50, 27 February 2009 | Log 14649.out (file) | |
1.88 MB | 1 | |
| 12:39, 27 February 2009 | Stepwise.jpg (file) |  |
24 KB | 1 | |
| 12:07, 27 February 2009 | Reaction scheme444.jpg (file) |  |
45 KB | 1 | |
| 19:02, 25 February 2009 | HOMO-1exo.jpg (file) |  |
133 KB | 1 | |
| 19:02, 25 February 2009 | HOMOexo.jpg (file) |  |
132 KB | 1 | |
| 18:46, 25 February 2009 | HOMO-1321.jpg (file) |  |
161 KB | 1 | |
| 18:46, 25 February 2009 | HOMO312.jpg (file) |  |
202 KB | 1 | |
| 18:30, 25 February 2009 | Seconday.jpg (file) |  |
27 KB | 1 | |
| 17:26, 25 February 2009 | EXO STRAIN.jpg (file) |  |
34 KB | 1 | |
| 17:25, 25 February 2009 | ENDO STRAIN.jpg (file) |  |
33 KB | 1 | |
| 14:42, 25 February 2009 | FINAL ISOMER 1.out (file) | |
787 KB | 1 | |
| 14:41, 25 February 2009 | FINAL ISOMER 2.out (file) | |
636 KB | 1 | |
| 18:33, 24 February 2009 | MP2 HOMO.jpg (file) |  |
76 KB | 1 |
