Uploads by Kl1111
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 18:03, 15 December 2014 | KL1111 PMe4 OPT nosymm SUMMARY.jpg (file) |  |
61 KB | 1 | |
| 18:02, 15 December 2014 | KL1111 PME4 OPT NOSYMM.LOG (file) |  |
166 KB | 1 | |
| 16:54, 15 December 2014 | KL1111 NME4 OPT NOSYMM.mol (file) | |
2 KB | 1 | |
| 16:53, 15 December 2014 | KL1111 NME4 OPT NOSYMM.LOG (file) | |
136 KB | 1 | |
| 16:53, 15 December 2014 | KL1111 NMe4 OPT nosymm SUMMARY.jpg (file) |  |
60 KB | 1 | |
| 20:28, 10 December 2014 | KL1111 NH3BH3 FREQ SUMMARY.jpg (file) |  |
59 KB | 2 | |
| 20:25, 10 December 2014 | KL1111 NH3BH3 631G FREQ.log (file) | |
38 KB | 2 | |
| 20:24, 10 December 2014 | KL1111 NH3BH3 631G OPT.LOG (file) | |
111 KB | 3 | |
| 20:23, 10 December 2014 | KL1111 NH3BH3 OPT SUMMARY.jpg (file) |  |
58 KB | 3 | |
| 20:19, 10 December 2014 | KL1111 NH3BH3 CHARGE DIST.jpg (file) |  |
75 KB | 1 | |
| 19:58, 10 December 2014 | KL1111 C2H6 CHARGE DIST.jpg (file) |  |
77 KB | 1 | |
| 19:53, 10 December 2014 | KL1111 C2H6 631G FREQ SUMMARY.jpg (file) |  |
58 KB | 2 | |
| 19:49, 10 December 2014 | KL1111 C2H6 631G OPT.LOG (file) | |
71 KB | 2 | |
| 19:07, 10 December 2014 | KL1111 C2H6 631G FREQ.log (file) | |
38 KB | 1 | |
| 19:02, 10 December 2014 | KL1111 C2H6 631G OPT.mol (file) | |
809 bytes | 2 | |
| 19:02, 10 December 2014 | KL1111 C2H6 631G OPT SUMMARY.jpg (file) |  |
57 KB | 1 | |
| 18:06, 10 December 2014 | KL1111 NH3 631G FREQ.LOG (file) | |
26 KB | 3 | |
| 18:04, 10 December 2014 | KL1111 NH3 631 FREQ SUMMARY.jpg (file) |  |
57 KB | 4 | |
| 17:15, 10 December 2014 | KL1111 NH3BH3 631G OPT.mol (file) | |
820 bytes | 2 | |
| 16:37, 10 December 2014 | KL1111 NH3 631G MO.LOG (file) | |
59 KB | KL1111_NH3_631G_NBO.LOG | 1 |
| 16:10, 10 December 2014 | KL1111 NH3 CHARGE DIST.jpg (file) |  |
76 KB | 1 | |
| 14:35, 10 December 2014 | KL1111 NH3 631G freq spectra.jpg (file) |  |
135 KB | 5 | |
| 14:14, 10 December 2014 | KL1111 NH3 631G OPT.mol (file) | |
441 bytes | 1 | |
| 14:12, 10 December 2014 | KL1111 NH3 631 OPT SUMMARY.jpg (file) |  |
58 KB | 1 | |
| 14:08, 10 December 2014 | KL1111 NH3 631G OPT.LOG (file) | |
47 KB | 1 | |
| 00:34, 9 December 2014 | KL1111 NH3 631G freq Summary.jpg (file) |  |
61 KB | 1 | |
| 18:08, 8 December 2014 | KL1111 BH3 MO Diagram LACO 5.jpg (file) |  |
128 KB | 1 | |
| 18:08, 8 December 2014 | KL1111 BH3 MO Diagram LACO 4.jpg (file) |  |
124 KB | 1 | |
| 18:08, 8 December 2014 | KL1111 BH3 MO Diagram LACO 3.jpg (file) |  |
127 KB | 1 | |
| 18:08, 8 December 2014 | KL1111 BH3 MO Diagram LACO 2.jpg (file) |  |
122 KB | 1 | |
| 18:08, 8 December 2014 | KL1111 BH3 MO Diagram LACO 1.jpg (file) |  |
125 KB | LCAO 1 | 1 |
| 14:07, 8 December 2014 | KL1111 GaBr3 frequency spectrum.jpg (file) |  |
89 KB | KL1111_GaBr3_frequency_spectrum | 1 |
| 13:59, 8 December 2014 | KL1111 GaBr3 frequency summary.jpg (file) |  |
60 KB | KL1111_GaBr3_frequency_summary | 1 |
| 13:56, 8 December 2014 | Kl1111 GaBr3 frequency.log (file) | |
28 KB | GaBr3 frequency .log file | 1 |
| 12:27, 8 December 2014 | KL1111 BH3 OPT 631 D3h SPECTRUM.jpg (file) |  |
80 KB | 2 | |
| 10:45, 8 December 2014 | KL1111 BH3 OPT 631 D3h SUMMARY.jpg (file) |  |
63 KB | 2 | |
| 10:32, 8 December 2014 | KL1111 BH3 OPT 631G DP D3H.LOG (file) | |
26 KB | BH3 frequency file | 1 |
| 22:40, 5 December 2014 | KL1111 BBr3 OPT 631g dp.mol (file) | |
480 bytes | BBr3 mixed pp basis set opt JMOL image | 1 |
| 22:38, 5 December 2014 | KL1111 BBr3 OPT 631 SUMMARY.jpg (file) |  |
57 KB | BBr3 mixed pp basis set opt | 1 |
| 22:36, 5 December 2014 | KL1111 BBr3 OPT 631g dp.log (file) | |
49 KB | BBr3 mixed pp and basis set opt | 1 |
| 21:33, 5 December 2014 | Kl1111 GaBr3 pp optimisation2.mol (file) | |
466 bytes | GaBr3 pseudopotential optimisation jmol image | 1 |
| 21:32, 5 December 2014 | KL1111 GaBr3 pp opt2 summary.jpg (file) |  |
61 KB | GaBr3 pseudopotential optimisation summary table | 1 |
| 21:31, 5 December 2014 | Kl1111 GaBr3 pp optimisation2.log (file) | |
41 KB | GaBr3 pseusopotential optimisation final | 1 |
| 21:03, 5 December 2014 | KL1111 BH3 OPT 631G DP.LOG (file) | |
21 KB | 1 | |
| 20:58, 5 December 2014 | KL1111 BH3 OPT 631g dp.gjf (file) | |
21 KB | 4 | |
| 20:51, 5 December 2014 | KL1111 BH3 OPT 631 SUMMARY.jpg (file) |  |
57 KB | 3 | |
| 20:39, 5 December 2014 | KL1111 BH3 OPT 631g dp.mol (file) | |
441 bytes | BH3 631 jmol file | 1 |
| 13:36, 5 December 2014 | KL1111 BH3 OPT.mol (file) | |
441 bytes | 1 | |
| 13:28, 5 December 2014 | BH3 OPT LOG SUMMARY PIC.jpg (file) |  |
59 KB | 2 | |
| 12:47, 5 December 2014 | KL1111 BH3 OPT.LOG (file) | |
70 KB | BH3 optimisation log file | 1 |
