Uploads by Ll4310
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:13, 15 November 2012 | Ll4310 Vib 1.gif (file) |  |
262 KB | 1 | |
| 14:31, 15 November 2012 | LL4310 BH3 FREQ2.LOG (file) |  |
54 KB | 1 | |
| 13:22, 15 November 2012 | LANALEE BH3 FREQ.LOG (file) | |
25 KB | 1 | |
| 13:18, 15 November 2012 | Lanalee bh3 freq.gjf (file) | |
416 bytes | Frequency analysis of the optimised BH3 molecule. | 1 |
| 12:30, 14 November 2012 | TlBr3 Optimisation ll4310 using HPC.log (file) | |
44 KB | TlBr<sub>3</sub> optimisation | 1 |
| 09:22, 14 November 2012 | BH3 OPTIMISATION ll4310 631g dp.gjf (file) | |
400 bytes | BH<sub>3</sub> using the 6-31G(d,p) basis set | 1 |
| 14:22, 13 November 2012 | Gradientvsoptimisationll4310.PNG (file) |  |
19 KB | Graph showing force vs optimisation step | 1 |
| 14:22, 13 November 2012 | Totalenergyvsoptimisationll4310.PNG (file) |  |
15 KB | Graph showing total energy vs optimisation | 1 |
| 15:05, 12 November 2012 | BH3 OPTIMISATION ll4310.LOG (file) | |
47 KB | A Gaussview image of the optimised BH<sub>3</sub> molecule | 1 |
