Uploads by Jrc10
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:51, 14 January 2013 | CRON BH3 OPTIMISATION.LOG (file) |  |
47 KB | first optimization of a BH<sub>3</sub> molecule | 1 |
| 17:02, 14 January 2013 | Bh3 optimisation.mol (file) | |
441 bytes | jmol of bh3 opt | 2 |
| 11:26, 15 January 2013 | CRON Bh3 gradient plot.svg (file) |  |
16 KB | BH3 RMS gradient plot | 3 |
| 11:27, 15 January 2013 | CRON BH3 plots.svg (file) |  |
17 KB | BH3 Energy plot | 3 |
| 13:49, 15 January 2013 | CRON BH3 OPTIMISATION 631G dp.mol (file) | |
447 bytes | Jmol of second optimized BH3 | 1 |
| 13:55, 15 January 2013 | CRON BH3 OPTIMISATION 631G DP.LOG (file) | |
48 KB | .log file for second optimization of BH3 | 1 |
| 14:48, 15 January 2013 | CRON BH3 energy plot2.svg (file) |  |
17 KB | BH3 energy plot for second optimization | 1 |
| 14:57, 15 January 2013 | CRON BH3 grad plot2.svg (file) |  |
16 KB | RMS Gradient for second optimisation | 1 |
| 16:59, 15 January 2013 | CRON TlBr3 optimization.mol (file) | |
443 bytes | TlBr3 Jmol file | 1 |
| 10:53, 16 January 2013 | CRON TlBr3 optimization.log (file) | |
44 KB | Thallium tribromide .log file | 1 |
| 11:00, 16 January 2013 | CRON BBr3 OPTIMISATION.mol (file) | |
442 bytes | Boron tribromide Jmol file | 1 |
| 11:03, 16 January 2013 | CRON BBr3 OPTIMISATION.log (file) | |
49 KB | Boron tribromide optimisation .log file | 1 |
| 15:45, 17 January 2013 | CRON BH33 FREQ.LOG (file) | |
54 KB | .log file for frequency calculation | 1 |
| 17:10, 17 January 2013 | CRON Bh3 vib 1.mol (file) | |
438 bytes | BH3 vibrations Jmol | 1 |
| 21:22, 17 January 2013 | BH3 vib2 movie.gif (file) |  |
292 KB | BH3 Vibration mode 2 | 1 |
| 21:26, 17 January 2013 | CRON BH3 vib3 movie.gif (file) |  |
292 KB | BH3 vibration mode 3 | 1 |
| 21:29, 17 January 2013 | CRON BH3 vib4 movie.gif (file) |  |
229 KB | BH3 vibrational mode 4 | 1 |
| 21:32, 17 January 2013 | CRON BH3 vib5 movie.gif (file) |  |
245 KB | BH3 vibration mode 5 | 1 |
| 21:33, 17 January 2013 | CRON 3 vib6 movie.gif (file) |  |
256 KB | BH3 vibrational mode 6 | 1 |
| 21:43, 17 January 2013 | CRON BH3 vib1 movie.gif (file) |  |
337 KB | BH3 vibrational mode 1 | 9 |
| 10:45, 18 January 2013 | CRON BH3 spectrum.svg (file) |  |
22 KB | The calculated spectrum of BH3 | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib1 movie.gif (file) |  |
289 KB | TlBr3 vibration GIF | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib2 movie.gif (file) |  |
290 KB | TlBr3 vibration GIF | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib3 movie.gif (file) |  |
288 KB | TlBr3 vibration GIF | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib4 movie.gif (file) |  |
290 KB | TlBr3 vibration GIF | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib5 movie.gif (file) |  |
292 KB | TlBr3 vibration GIF | 1 |
| 13:55, 18 January 2013 | CRON TlBr3 vib6 movie.gif (file) |  |
290 KB | TlBr3 vibration GIF | 1 |
| 14:19, 18 January 2013 | CRON TlBr3 spectrum.svg (file) |  |
21 KB | Calculated infrared spectrum of Thallium tribromide | 1 |
| 12:18, 19 January 2013 | CRON MO for BH3.cdxml (file) | |
38 KB | chemdraw file for Mo of BH3 from LCAO | 2 |
| 15:53, 19 January 2013 | CRON BH3 MO diagram.svg (file) |  |
876 KB | MO diagram for BH3 with LCAO and calculated MO's | 1 |
| 09:49, 20 January 2013 | NH3 optimised.mol (file) | |
441 bytes | Jmol file of optimized NH3 | 1 |
| 10:04, 20 January 2013 | CRON NH3 frequency.LOG (file) | |
24 KB | .log file for NH3 frequency analysis | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo1.jpg (file) |  |
34 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo2.jpg (file) |  |
37 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo3.jpg (file) |  |
46 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo4.jpg (file) |  |
47 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo5.jpg (file) |  |
42 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo6.jpg (file) |  |
47 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo7.jpg (file) |  |
50 KB | Mo of NH3 | 1 |
| 10:54, 20 January 2013 | CRON Nh3 mo8.jpg (file) |  |
47 KB | Mo of NH3 | 1 |
| 11:28, 20 January 2013 | CRON NH3 charge distribution.jpg (file) |  |
96 KB | NH3 charge distribution | 2 |
| 12:00, 20 January 2013 | MO for BH3.pdf (file) |  |
1.02 MB | MO diagram of BH3 with LCAO and calculated MOs | 5 |
| 14:34, 20 January 2013 | NH3BH3 OPTIMIZATION 631G DP.LOG (file) | |
84 KB | .log file for NH3BH3 optimization | 1 |
| 14:41, 20 January 2013 | CRON NH3BH3 optimization.mol (file) | |
820 bytes | Jmol file for ammonium borane optimized | 1 |
| 14:57, 20 January 2013 | CRON NH3BH3 FREQUENCY 631G DP.LOG (file) | |
37 KB | .log file for ammonium borane frequency analysis | 1 |
| 16:02, 20 January 2013 | CRON NH3 OPTIMIZATION 631G DP.LOG (file) | |
40 KB | .log file for optimization of NH3 | 2 |
| 15:27, 22 January 2013 | CRON Benzene charge distribution.jpg (file) |  |
100 KB | The charge distribution on Benzene | 1 |
| 17:03, 22 January 2013 | CRON Benzene optimization 631G dp.mol (file) | |
1 KB | Jmol of benzene | 1 |
| 22:08, 22 January 2013 | CRON Benzene mo copy.pdf (file) | |
760 KB | Benzene MO diagram | 1 |
| 10:35, 23 January 2013 | Boratabenzene optimization.mol (file) | |
1 KB | Jmol of Boratabenzene | 1 |
