Uploads by Esc14
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:35, 21 March 2017 | Volume against Temperature MD.PNG (file) |  |
38 KB | 1 | |
| 13:17, 21 March 2017 | Volume temperature dependence, LD & MD comparison.PNG (file) |  |
42 KB | 1 | |
| 09:50, 21 March 2017 | Volume against Temperature LD.PNG (file) |  |
38 KB | 1 | |
| 17:49, 20 March 2017 | Physical origin of thermal expansion.PNG (file) |  |
66 KB | 1 | |
| 15:07, 19 March 2017 | MgO Free energy against T.PNG (file) |  |
30 KB | 1 | |
| 14:56, 19 March 2017 | MgO Lattice constant against temperature.PNG (file) |  |
38 KB | 1 | |
| 14:50, 19 March 2017 | MgO Helmholtz free energy vs T.pdf (file) |  |
31 KB | 1 | |
| 13:02, 19 March 2017 | MgO 32 cell.PNG (file) |  |
61 KB | 1 | |
| 12:59, 19 March 2017 | MgO primitive cell.PNG (file) |  |
34 KB | 1 | |
| 12:49, 19 March 2017 | DOS graphs.PNG (file) |  |
63 KB | 1 | |
| 19:03, 16 March 2017 | 64x64x64 300K DOS.PNG (file) |  |
16 KB | 1 | |
| 19:02, 16 March 2017 | 32x32x32 300K DOS.PNG (file) |  |
18 KB | 1 | |
| 19:01, 16 March 2017 | 16x16x16 300K DOS.PNG (file) |  |
18 KB | 1 | |
| 19:01, 16 March 2017 | 8x8x8 300K DOS.PNG (file) |  |
19 KB | 1 | |
| 19:00, 16 March 2017 | 4x4x4 300K DOS.PNG (file) |  |
22 KB | 1 | |
| 18:59, 16 March 2017 | 3x3x3 300K DOS.PNG (file) |  |
23 KB | 1 | |
| 18:59, 16 March 2017 | 2x2x2 300K DOS.PNG (file) |  |
19 KB | 1 | |
| 18:51, 16 March 2017 | 1x1x1 300K DOS.PNG (file) |  |
17 KB | 1 | |
| 18:42, 16 March 2017 | Dispersion.PNG (file) |  |
25 KB | 1 | |
| 11:37, 18 November 2016 | Summary .jpg (file) |  |
68 KB | 1 | |
| 10:54, 18 November 2016 | XYLYLENE-SO2 ENDO PM6 MIN.LOG (file) |  |
851 KB | 1 | |
| 10:35, 18 November 2016 | CHELETROPIC PM6 IRC.LOG (file) | |
1.51 MB | 1 | |
| 10:34, 18 November 2016 | CHELETROPIC PM6 TS.LOG (file) | |
252 KB | 1 | |
| 10:33, 18 November 2016 | CHELETROPIC PM6 MIN.LOG (file) | |
535 KB | 1 | |
| 10:33, 18 November 2016 | XYLYLENE-SO2 PM6 IRC.LOG (file) | |
1.06 MB | 1 | |
| 10:32, 18 November 2016 | XYLYLENE-SO2 PM6 TS.LOG (file) | |
363 KB | 1 | |
| 10:31, 18 November 2016 | XYLYLENE-SO2 PM6 MIN.LOG (file) | |
397 KB | 1 | |
| 10:29, 18 November 2016 | ENDO B3LYP TS.LOG (file) | |
420 KB | 1 | |
| 10:28, 18 November 2016 | ENDO PM6 IRC.LOG (file) | |
819 KB | 1 | |
| 10:28, 18 November 2016 | ENDO PM6 TS.LOG (file) | |
409 KB | 2 | |
| 10:26, 18 November 2016 | ENDO PM6 MIN.LOG (file) | |
1.01 MB | 1 | |
| 10:24, 18 November 2016 | EXO B3LYP TS.LOG (file) | |
368 KB | 1 | |
| 10:23, 18 November 2016 | EXO PM6 IRC.LOG (file) | |
789 KB | 1 | |
| 10:22, 18 November 2016 | EXO PM6 TS.LOG (file) | |
319 KB | 1 | |
| 10:21, 18 November 2016 | EXO PM6 MIN.LOG (file) | |
772 KB | 1 | |
| 10:14, 18 November 2016 | EXERCICE 1 BUTADIENE+ETHYLENE PM6 IRC.LOG (file) | |
719 KB | 1 | |
| 09:12, 18 November 2016 | Raction profile exercice 3.jpg (file) |  |
22 KB | 1 | |
| 19:13, 17 November 2016 | HOMO affected by secondary orbital Exo.png (file) |  |
95 KB | 1 | |
| 19:03, 17 November 2016 | HOMO affected by secondary orbital.png (file) |  |
75 KB | 1 | |
| 18:55, 17 November 2016 | HOMO of Benzoquinone.jpg (file) |  |
4 KB | 1 | |
| 18:43, 17 November 2016 | LUMO of Benzoquinone.jpg (file) |  |
5 KB | 1 | |
| 18:37, 17 November 2016 | LUMO of Benzoquinone.cdx (file) | |
2 KB | 1 | |
| 18:29, 17 November 2016 | Reactants Endo Imaginary freq zero.png (file) |  |
9 KB | 2 | |
| 12:35, 17 November 2016 | HOMO butadiene-LUMO Ethene bonding.jpg (file) |  |
9 KB | 1 | |
| 21:16, 16 November 2016 | Frequencies for second is-butadiene reaction.png (file) |  |
5 KB | 1 | |
| 21:13, 16 November 2016 | Second cis butadiene TS.gif (file) |  |
1.25 MB | 1 | |
| 18:00, 16 November 2016 | Diel-Alder freq zero.png (file) |  |
8 KB | 1 | |
| 17:56, 16 November 2016 | Xylene-So2 product.png (file) |  |
56 KB | 1 | |
| 17:39, 16 November 2016 | Frequency Cheletropic zero.png (file) |  |
9 KB | 1 | |
| 17:37, 16 November 2016 | Cheletropic product.png (file) |  |
56 KB | 1 |
