Uploads by Jk1911
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:19, 19 November 2013 | Summary Bbenz MO.PNG (file) |  |
10 KB | 1 | |
| 16:19, 19 November 2013 | SYMM B BENZENE MO.LOG (file) |  |
530 KB | 1 | |
| 16:15, 19 November 2013 | Bbenzene charge distribution numbers.PNG (file) |  |
44 KB | 1 | |
| 16:14, 19 November 2013 | Charge Distribution Boratobenzene colours.PNG (file) |  |
64 KB | 1 | |
| 15:16, 19 November 2013 | SYMM B BENZENE FORFREQ.LOG (file) | |
55 KB | 1 | |
| 14:48, 19 November 2013 | Summary Bbenz freq.PNG (file) |  |
10 KB | 1 | |
| 14:33, 19 November 2013 | INITIAL OPT B BENZENE FORSYMM.LOG (file) | |
44 KB | 1 | |
| 14:32, 19 November 2013 | Item table symmBbenz.txt (file) |  |
5 KB | 1 | |
| 14:31, 19 November 2013 | Summary symm Bbenz.PNG (file) |  |
11 KB | 1 | |
| 14:05, 19 November 2013 | INITIAL OPT B BENZENE.LOG (file) | |
87 KB | 1 | |
| 14:04, 19 November 2013 | Item BBenzene initial.txt (file) | |
5 KB | 1 | |
| 14:02, 19 November 2013 | SummaryBBenzinitial.PNG (file) |  |
9 KB | 1 | |
| 13:32, 19 November 2013 | Huge MO diagram.pdf (file) |  |
683 KB | 2 | |
| 14:13, 18 November 2013 | JkBenzene Charge Distribution.PNG (file) |  |
82 KB | 1 | |
| 14:12, 18 November 2013 | Summary benzene MOs.PNG (file) |  |
9 KB | 2 | |
| 14:11, 18 November 2013 | GEOM BENZENE MO.LOG (file) | |
531 KB | 1 | |
| 14:10, 18 November 2013 | GEOM benzene MO.chk (file) | |
1.11 MB | 1 | |
| 13:53, 18 November 2013 | Symm GEOM benzene forMO.chk (file) | |
1.11 MB | 1 | |
| 13:52, 18 November 2013 | SYMM GEOM BENZENE FORMO.LOG (file) | |
21 KB | 1 | |
| 13:29, 18 November 2013 | Symm freq benzene.mol (file) | |
1 KB | 1 | |
| 13:18, 18 November 2013 | Summaryfreqbenz.PNG (file) |  |
10 KB | 1 | |
| 13:17, 18 November 2013 | SYMM FREQ BENZENE.LOG (file) | |
56 KB | 1 | |
| 12:30, 18 November 2013 | Item-symm benz opt.txt (file) | |
5 KB | 1 | |
| 12:28, 18 November 2013 | Summary symm benz.PNG (file) |  |
10 KB | 1 | |
| 12:26, 18 November 2013 | SYMM GEOM BENZENE.LOG (file) | |
43 KB | 1 | |
| 12:25, 18 November 2013 | INITIAL GEOM FOR OPT.LOG (file) | |
61 KB | 1 | |
| 12:15, 18 November 2013 | Item-firstbenzeneopt.txt (file) | |
5 KB | 1 | |
| 12:11, 18 November 2013 | Summary initial benzene opt.PNG (file) |  |
10 KB | 1 | |
| 19:31, 17 November 2013 | INITIAL OPT BH3NH3 ULTRATIGHTFOR FREQ.LOG (file) | |
36 KB | 1 | |
| 18:51, 17 November 2013 | NH3 frequencies summary.PNG (file) |  |
10 KB | 1 | |
| 18:46, 17 November 2013 | NH3 opt initial.mol (file) | |
440 bytes | 1 | |
| 18:45, 17 November 2013 | JkNH3 optimisation summary.PNG (file) |  |
10 KB | 1 | |
| 13:04, 17 November 2013 | Jk6.gif (file) |  |
205 KB | 1 | |
| 13:03, 17 November 2013 | Jk5.gif (file) |  |
211 KB | 1 | |
| 13:03, 17 November 2013 | Jk4.gif (file) |  |
198 KB | 1 | |
| 13:03, 17 November 2013 | Jk3.gif (file) |  |
195 KB | 1 | |
| 13:03, 17 November 2013 | Jk2.gif (file) |  |
207 KB | 1 | |
| 13:03, 17 November 2013 | Jk1.gif (file) |  |
204 KB | 1 | |
| 12:35, 17 November 2013 | JkGaBr3 IR spectrum.PNG (file) |  |
22 KB | 1 | |
| 12:32, 17 November 2013 | Summary GaBr3 freq.PNG (file) |  |
10 KB | 1 | |
| 11:57, 17 November 2013 | JkOverlaps.png (file) |  |
8 KB | 1 | |
| 11:54, 17 November 2013 | JkWavefunctions.png (file) |  |
13 KB | 1 | |
| 11:51, 17 November 2013 | B Ga overlaps.png (file) |  |
18 KB | 1 | |
| 19:40, 16 November 2013 | Optimised geometry of GaBr3.mol (file) | |
446 bytes | 1 | |
| 19:00, 16 November 2013 | OPTBH3 631Gdp.LOG (file) | |
31 KB | 1 | |
| 18:41, 16 November 2013 | BH3 opt 7.PNG (file) |  |
26 KB | 1 | |
| 18:41, 16 November 2013 | BH3 opt 6.PNG (file) |  |
26 KB | 1 | |
| 18:41, 16 November 2013 | BH3 opt 5.PNG (file) |  |
26 KB | 1 | |
| 18:41, 16 November 2013 | BH3 opt 4.PNG (file) |  |
26 KB | 1 | |
| 18:41, 16 November 2013 | BH3 opt3.PNG (file) |  |
24 KB | 1 |
