Uploads by Hjk114
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 05:15, 27 January 2017 | MgO V A.PNG (file) |  |
33 KB | 1 | |
| 04:41, 27 January 2017 | MgO Free.PNG (file) |  |
22 KB | 1 | |
| 04:22, 27 January 2017 | MgO a T.PNG (file) |  |
18 KB | 1 | |
| 03:21, 27 January 2017 | MgO graph 1.PNG (file) |  |
55 KB | 1 | |
| 02:52, 27 January 2017 | MgO DOS grid.PNG (file) |  |
56 KB | 1 | |
| 00:30, 27 January 2017 | MgO QHA PE.PNG (file) |  |
11 KB | 1 | |
| 23:01, 26 January 2017 | Coulomb-Buckingham Potential.PNG (file) |  |
10 KB | 1 | |
| 16:45, 25 January 2017 | MgO K points.PNG (file) |  |
4 KB | 1 | |
| 14:31, 19 January 2017 | MgO Phonon DOS 1 k point.PNG (file) |  |
6 KB | 1 | |
| 14:24, 19 January 2017 | MgO Phonon DOS.PNG (file) |  |
16 KB | 1 | |
| 14:24, 19 January 2017 | MgO 2D dispersion.PNG (file) |  |
17 KB | 1 | |
| 11:17, 2 December 2016 | PESderivatives.PNG (file) |  |
5 KB | 1 | |
| 11:08, 2 December 2016 | Ex3energyprofile.png (file) |  |
92 KB | 1 | |
| 00:53, 2 December 2016 | Saddlepoint.PNG (file) |  |
127 KB | 2 | |
| 23:07, 1 December 2016 | EX3-CHELOTROPICPRODUCT-OPTIMISEMIN.LOG (file) |  |
992 KB | 1 | |
| 23:06, 1 December 2016 | EX3-CHELOREACTANTS-TS.LOG (file) | |
856 KB | 1 | |
| 23:05, 1 December 2016 | TUTORIAL 3-OPT+FREQNAPHTHALENE.LOG (file) | |
677 KB | 1 | |
| 23:03, 1 December 2016 | TUTORIAL 3-EXO-TS-NEW.LOG (file) | |
215 KB | 1 | |
| 23:01, 1 December 2016 | EX3-ENDO-TS-PM6.LOG (file) | |
233 KB | 1 | |
| 22:57, 1 December 2016 | EX-3-ENDO-PRODUCT-MIN.LOG (file) | |
568 KB | 1 | |
| 16:12, 1 December 2016 | Ex-3-REACTIONSCHEME.png (file) |  |
83 KB | 1 | |
| 15:31, 1 December 2016 | Ex-3-EXO-IRC-25STEPS.gif (file) |  |
364 KB | 1 | |
| 15:30, 1 December 2016 | EX-3-CHELO-IRC-25STEPS.gif (file) |  |
346 KB | 1 | |
| 14:36, 1 December 2016 | EX-3-ENDO-IRC-25STEPS.gif (file) |  |
343 KB | 1 | |
| 13:45, 1 December 2016 | EX-3-CHELO-IRC.gif (file) |  |
133 KB | 1 | |
| 13:27, 1 December 2016 | EX2-EXO-GFPRINT.LOG (file) | |
3.42 MB | 1 | |
| 13:25, 1 December 2016 | EX2-ENDO-B3LYP-NOEIGEN.LOG (file) | |
3.74 MB | 2 | |
| 15:36, 30 November 2016 | EX-1-EXO-B3LYP-TS-NEW.LOG (file) | |
3.51 MB | 1 | |
| 15:25, 30 November 2016 | EX2-REACTIONSCHEME.png (file) |  |
45 KB | 1 | |
| 14:52, 30 November 2016 | TS vibration positive.gif (file) |  |
612 KB | 1 | |
| 09:59, 30 November 2016 | MOs-ex1.png (file) |  |
116 KB | 1 | |
| 22:58, 29 November 2016 | TS vibration movie.gif (file) |  |
498 KB | 1 | |
| 22:38, 29 November 2016 | Variation of bond length with reaction coordinate.PNG (file) |  |
19 KB | 2 | |
| 22:03, 29 November 2016 | Symmetry overlaps.png (file) |  |
58 KB | 1 | |
| 21:48, 29 November 2016 | Butadiene ethene MO new.png (file) |  |
114 KB | 1 | |
| 21:47, 29 November 2016 | Butadiene ethene MO new.cdx (file) | |
13 KB | 1 | |
| 16:16, 29 November 2016 | AS-S.png (file) |  |
44 KB | 1 | |
| 15:16, 29 November 2016 | TS bond lengths3.png (file) |  |
34 KB | 1 | |
| 15:15, 29 November 2016 | TS bond lengths2.png (file) |  |
34 KB | 1 | |
| 15:02, 29 November 2016 | EX 1-TS-BUTADIENE-ETHENE-GFPRINTTT.LOG (file) | |
237 KB | 1 | |
| 14:14, 29 November 2016 | TS bond lengths.png (file) |  |
9 KB | 1 | |
| 14:03, 29 November 2016 | TS bond lengths.cdx (file) | |
4 KB | 1 | |
| 13:37, 29 November 2016 | EX 1-OPTBUTADIENE-GFPRINT.LOG (file) | |
52 KB | 1 | |
| 13:33, 29 November 2016 | EX 1-OPTETHENE-GFPRINT.LOG (file) | |
34 KB | 1 | |
| 18:26, 28 November 2016 | EX 1-OPTBUTADIENE.LOG (file) | |
94 KB | 3 | |
| 18:22, 28 November 2016 | EX 1-OPTETHENE.LOG (file) | |
70 KB | 2 | |
| 18:12, 28 November 2016 | Ex 1-optbutadiene.chk (file) | |
1.2 MB | 1 | |
| 15:59, 25 November 2016 | EX 1-OPTIMISE-PRODUCT-PM6.LOG (file) | |
183 KB | 1 | |
| 15:59, 25 November 2016 | EX 1-IRC-30 STEPS.LOG (file) | |
514 KB | 1 | |
| 15:56, 25 November 2016 | EX 1-OPTBUTADIENE-ETHENE.LOG (file) | |
353 KB | 1 |
