Uploads by Ll4310
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:53, 20 November 2012 | Ll4310Benzene by colour and number.PNG (file) |  |
69 KB | 1 | |
| 14:34, 20 November 2012 | Ll4310 Borazine by colour.PNG (file) |  |
65 KB | 1 | |
| 16:46, 19 November 2012 | Ll4310 Nbo by colour.PNG (file) |  |
95 KB | 1 | |
| 16:38, 19 November 2012 | Ll4310 Pyridinium mo output.fchk (file) |  |
368 KB | 1 | |
| 16:25, 19 November 2012 | Ll4310 Infrared spectrum.PNG (file) |  |
43 KB | 1 | |
| 15:55, 19 November 2012 | Ll4310 Pyridinium opt hpc output.log (file) | |
177 KB | 1 | |
| 14:55, 19 November 2012 | Ll4310 Mo boratabenzene hpcout.log (file) | |
522 KB | 1 | |
| 14:52, 19 November 2012 | Ll4310 Boratabenzene nbo analysis.PNG (file) |  |
70 KB | 1 | |
| 14:37, 19 November 2012 | Ll310 Mo boratabenzene chkfile hpcout.fchk (file) | |
368 KB | 1 | |
| 13:13, 19 November 2012 | Ll4310 Borazabenzene opt hpc out.log (file) | |
177 KB | 1 | |
| 12:50, 19 November 2012 | Ll4310 Benzene logfrompopanalysis hpc.log (file) | |
522 KB | 1 | |
| 12:44, 19 November 2012 | Ll4310 Benzene coloured by charge.PNG (file) |  |
18 KB | 1 | |
| 12:11, 19 November 2012 | Ll4310 Ir spectrum of benzene.PNG (file) |  |
40 KB | 1 | |
| 09:32, 19 November 2012 | Ll4310 BH3 OPTIMISATION LL4310 631G DP.LOG (file) | |
48 KB | 1 | |
| 21:51, 18 November 2012 | Ll4310 BH3NH3 FREQUENCY.LOG (file) | |
89 KB | 1 | |
| 21:25, 18 November 2012 | Ll4310 BH3NH3 OPTIMISATION.LOG (file) | |
93 KB | 1 | |
| 20:26, 18 November 2012 | Ll4310 NH3 colourdistrib 1.125symm.PNG (file) |  |
17 KB | 1 | |
| 19:50, 18 November 2012 | Ll4310 NH3 MO.LOG (file) | |
59 KB | 1 | |
| 19:40, 18 November 2012 | LANA NH3 FREQ - COPY.LOG (file) | |
59 KB | 1 | |
| 19:19, 18 November 2012 | Ll4310 Ir spectrum NH3.PNG (file) |  |
46 KB | 1 | |
| 19:17, 18 November 2012 | Ll4310 Nh3 vib6.gif (file) |  |
209 KB | 1 | |
| 19:17, 18 November 2012 | Ll4310 Nh3 vib5.gif (file) |  |
213 KB | 1 | |
| 19:17, 18 November 2012 | Ll4310 Nh3 vib4.gif (file) |  |
207 KB | 1 | |
| 19:16, 18 November 2012 | Ll4310 Nh3 vib3.gif (file) |  |
259 KB | 1 | |
| 19:16, 18 November 2012 | Ll4310 Nh3 vib2.gif (file) |  |
209 KB | 1 | |
| 19:16, 18 November 2012 | Ll4310 Nh3 vib1.gif (file) |  |
221 KB | 1 | |
| 19:00, 18 November 2012 | LANA NH3 FREQ.LOG (file) | |
48 KB | frequency log file | 1 |
| 18:40, 18 November 2012 | Ll4310NH3 OPT.LOG (file) | |
40 KB | NH<sub>3</sub> optimisation log file | 1 |
| 15:35, 16 November 2012 | Ir spectrum tlbr3.PNG (file) |  |
46 KB | 1 | |
| 15:03, 16 November 2012 | Ll4310TlBr3 vib6.gif (file) |  |
210 KB | 1 | |
| 15:02, 16 November 2012 | Ll4310TlBr3 vib5.gif (file) |  |
203 KB | 1 | |
| 15:02, 16 November 2012 | Ll4310TlBr3 vib4.gif (file) |  |
212 KB | 1 | |
| 15:02, 16 November 2012 | Ll4310TlBr3 vib3.gif (file) |  |
198 KB | 1 | |
| 15:01, 16 November 2012 | Ll4310TlBr3 vib2.gif (file) |  |
212 KB | 1 | |
| 15:00, 16 November 2012 | Ll4310TlBr3 vib1.gif (file) |  |
211 KB | 1 | |
| 15:57, 15 November 2012 | Ll4310 IR Spectrum.PNG (file) |  |
42 KB | 1 | |
| 15:16, 15 November 2012 | Ll4310 Vib 6.gif (file) |  |
232 KB | 1 | |
| 15:15, 15 November 2012 | Ll4310 Vib 5.gif (file) |  |
239 KB | 1 | |
| 15:15, 15 November 2012 | Ll4310 Vib 4.gif (file) |  |
229 KB | 1 | |
| 15:15, 15 November 2012 | Ll4310 Vib 3.gif (file) |  |
248 KB | 1 | |
| 15:14, 15 November 2012 | Ll4310 Vib 2.gif (file) |  |
292 KB | 1 | |
| 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 |
