Uploads by Cif110
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:59, 6 March 2013 | App2 15hexadiene.png (file) |  |
371 KB | Optimised molecules of 1,5-hexadiene | 1 |
| 15:59, 6 March 2013 | App1 15hexadiene.png (file) |  |
367 KB | Optimised molecules of 1,5-hexadiene | 1 |
| 14:15, 4 March 2013 | HEX15DIENE OPTIM.LOG (file) |  |
170 KB | 1,5-Hexadiene optimisation log file | 1 |
| 13:30, 1 March 2013 | NMe3MeCN LUMO.jpg (file) |  |
330 KB | HOMOs and LUMOs | 1 |
| 13:30, 1 March 2013 | NMe3MeOH LUMO.jpg (file) |  |
311 KB | HOMOs and LUMOs | 1 |
| 13:30, 1 March 2013 | NMe3MeCN HOMO.jpg (file) |  |
301 KB | HOMOs and LUMOs | 1 |
| 13:30, 1 March 2013 | NMe4 LUMO.jpg (file) |  |
332 KB | HOMOs and LUMOs | 1 |
| 13:30, 1 March 2013 | NMe3MeOH HOMO.jpg (file) |  |
297 KB | HOMOs and LUMOs | 1 |
| 13:17, 1 March 2013 | NMe4 MO21.jpg (file) |  |
317 KB | Ammonium MOs | 1 |
| 13:17, 1 March 2013 | NMe4 MO17.jpg (file) |  |
290 KB | Ammonium MOs | 1 |
| 13:17, 1 March 2013 | NMe4 MO15.jpg (file) |  |
299 KB | Ammonium MOs | 1 |
| 11:27, 1 March 2013 | NMe3MeOH charge.jpg (file) |  |
446 KB | Ammonium derivative charge distributions | 1 |
| 11:27, 1 March 2013 | NMe3MeCN charge.jpg (file) |  |
421 KB | Ammonium derivative charge distributions | 1 |
| 11:11, 1 March 2013 | NMe3MeOH.jpg (file) |  |
333 KB | Ammonium derivative pictures | 1 |
| 11:11, 1 March 2013 | NMe3MeCN.jpg (file) |  |
432 KB | Ammonium derivative pictures | 1 |
| 21:55, 28 February 2013 | SMe3 NBO.jpg (file) |  |
457 KB | Charge distribution diagrams | 1 |
| 21:55, 28 February 2013 | PMe4 NBO.jpg (file) |  |
71 KB | Charge distribution diagrams | 1 |
| 21:55, 28 February 2013 | NMe4 NBO.jpg (file) |  |
89 KB | Charge distribution diagrams | 1 |
| 19:01, 28 February 2013 | NMe4 MO21.tif (file) | |
5.19 MB | Tetramethyl ammonium MO21 | 1 |
| 18:53, 28 February 2013 | NMe4 MO17.tif (file) | |
3.67 MB | Tetramethyl ammonium MO17 | 1 |
| 18:53, 28 February 2013 | NMe4 MO15.tif (file) | |
3.86 MB | Tetramethyl ammonium MO15 | 1 |
| 18:53, 28 February 2013 | NMe4 MO10.tif (file) | |
3.68 MB | Tetramethyl ammonium MO10 | 1 |
| 18:52, 28 February 2013 | NMe4 MO8.tif (file) | |
2.98 MB | Tetramethyl ammonium MO8 | 1 |
| 18:52, 28 February 2013 | NMe4 MO6.tif (file) | |
3.64 MB | Tetramethyl ammonium MO6 | 1 |
| 17:29, 24 February 2013 | NH3BH3 freq.log (file) | |
37 KB | Optimisation and frequency calcualtions, run on HPC | 2 |
| 17:29, 24 February 2013 | NH3BH3 optim HPC.log (file) | |
91 KB | Optimisation and frequency calcualtions, run on HPC | 1 |
| 16:25, 24 February 2013 | Chris NH3 MO6.jpg (file) |  |
54 KB | NH3 NBO and charge distribution | 1 |
| 16:04, 24 February 2013 | NH3 MO6.tif (file) | |
402 KB | Charge distribution of NH3 | 1 |
| 15:52, 24 February 2013 | NH3 MO6.LOG (file) | |
59 KB | NH3 MO 6 | 1 |
| 15:41, 24 February 2013 | NH3 FREQ6.LOG (file) | |
25 KB | NH3 optimisation and frequency calculations(separate) | 1 |
| 15:41, 24 February 2013 | NH3 OPTIM6.LOG (file) | |
46 KB | NH3 optimisation and frequency calculations(separate) | 1 |
| 16:24, 22 February 2013 | NH3 OPTIM FREQ.LOG (file) | |
70 KB | Ammonia optimisation and vibrational frequency calculations | 1 |
| 16:23, 22 February 2013 | NH3 optim freq.gjf (file) | |
471 bytes | Ammonia optimisation and vibrational frequency calculations | 1 |
| 15:20, 22 February 2013 | Christian MO diagram BH3.png (file) |  |
47 KB | MO diagram of BH3 | 1 |
| 23:08, 21 February 2013 | Symmetric bending.gif (file) |  |
231 KB | gifs of vibrational modes | 1 |
| 23:08, 21 February 2013 | One atom bending.gif (file) |  |
231 KB | gifs of vibrational modes | 1 |
| 23:08, 21 February 2013 | 3 atom symmetrical stretching.gif (file) |  |
293 KB | gifs of vibrational modes | 1 |
| 23:08, 21 February 2013 | 3 atom bop.gif (file) |  |
216 KB | gifs of vibrational modes | 1 |
| 23:08, 21 February 2013 | One atom stretch rest recoils.gif (file) |  |
294 KB | gifs of vibrational modes | 1 |
| 23:08, 21 February 2013 | Anti symmetric stretch.gif (file) |  |
295 KB | gifs of vibrational modes | 1 |
| 14:58, 21 February 2013 | TlBr3 IR spectrum.jpg (file) |  |
135 KB | TlBr3 IR spectrum | 1 |
| 14:11, 21 February 2013 | TlBr3 freq output.log (file) | |
28 KB | TlBr3 Freq calculations | 1 |
| 17:26, 20 February 2013 | BH3 spectrum.jpg (file) |  |
156 KB | Spectrum of BH3 | 3 |
| 15:59, 20 February 2013 | CHRIS BH3 FREQ3.LOG (file) | |
25 KB | Corrected BH3 optimisation and frequency | 1 |
| 15:59, 20 February 2013 | BH3OPTIMISATION4.LOG (file) | |
32 KB | Corrected BH3 optimisation and frequency | 1 |
| 17:19, 19 February 2013 | TlBr3Optimisation.log (file) | |
43 KB | Optimisation of TlBr3 in log file | 1 |
| 16:21, 19 February 2013 | CHRISTIAN BH3 FREQ.LOG (file) | |
25 KB | Frequency calculations of BH3 in log file | 1 |
| 15:44, 19 February 2013 | BBr3Optimisationlog.log (file) | |
49 KB | Completed optimisation of BBr3 | 1 |
| 13:46, 19 February 2013 | BBr3Optimisation(PPadjusted).txt (file) |  |
501 bytes | Input for BBr3 with full basis set for boron and pp for bromine | 1 |
| 15:52, 18 February 2013 | BH3 OPTIMISATION2.LOG (file) | |
61 KB | Optimisation of BH3 | 1 |
