Uploads by Amh110
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 14:47, 18 February 2013 | AHall BH3 OPT.LOG (file) |  |
47 KB | Upload correct file | 2 |
| 15:28, 18 February 2013 | AHall BH3 optplot energy.png (file) |  |
501 KB | Optimisation energy plot for BH3 | 1 |
| 15:29, 18 February 2013 | AHall BH3 optplot RMSgrad.png (file) |  |
710 KB | Optimisation plot for RMS gradient of BH3 | 1 |
| 16:23, 18 February 2013 | AHall BH3 OPT 631G DP.LOG (file) | |
20 KB | .log file for the optimisation of BH3 using 6-31g(d,p) basis set. | 1 |
| 16:21, 19 February 2013 | AHall BH3 OPT 6-31GDP 2.LOG (file) | |
31 KB | Re-optimised BH3 molecule | 1 |
| 11:21, 21 February 2013 | AHALL BH3 FREQ.LOG (file) | |
26 KB | Recalculated file | 2 |
| 12:59, 21 February 2013 | AHall bh3 vib 1.gif (file) |  |
500 KB | BH3 stretching mode animations | 1 |
| 12:59, 21 February 2013 | AHall bh3 vib 2.gif (file) |  |
464 KB | BH3 stretching mode animations | 1 |
| 12:59, 21 February 2013 | AHall bh3 vib 3.gif (file) |  |
467 KB | BH3 stretching mode animations | 1 |
| 12:59, 21 February 2013 | AHall bh3 vib 4.gif (file) |  |
402 KB | BH3 stretching mode animations | 1 |
| 12:59, 21 February 2013 | AHall bh3 vib 5.gif (file) |  |
425 KB | BH3 stretching mode animations | 1 |
| 12:59, 21 February 2013 | AHall bh3 vib 6.gif (file) |  |
417 KB | BH3 stretching mode animations | 1 |
| 13:22, 21 February 2013 | AHall bh3 spectrum.png (file) |  |
65 KB | 2 | |
| 14:05, 21 February 2013 | AHall TlBr3 spectrum.PNG (file) |  |
70 KB | Predicted IR spectrum for TlBr3. | 1 |
| 14:23, 21 February 2013 | AHall TlBr3 vib 2.gif (file) |  |
388 KB | Vibrational mode animations for TlBr3. | 2 |
| 14:23, 21 February 2013 | AHall TlBr3 vib 3.gif (file) |  |
341 KB | Vibrational mode animations for TlBr3. | 2 |
| 14:23, 21 February 2013 | AHall TlBr3 vib 4.gif (file) |  |
376 KB | Vibrational mode animations for TlBr3. | 2 |
| 14:23, 21 February 2013 | AHall TlBr3 vib 5.gif (file) |  |
382 KB | Vibrational mode animations for TlBr3. | 2 |
| 14:26, 21 February 2013 | AHall TlBr3 vib 6.gif (file) |  |
330 KB | Vibrational mode animations for TlBr3. | 1 |
| 14:27, 21 February 2013 | AHall TlBr3 vib 1.gif (file) |  |
389 KB | Reverted to version as of 14:23, 21 February 2013 | 4 |
| 16:36, 21 February 2013 | AHall NH3 OPT.LOG (file) | |
40 KB | Optimised NH3 .log file (6-31G(d,p)) | 1 |
| 17:14, 21 February 2013 | AHall NH3 ENERGY.LOG (file) | |
43 KB | NH3 Files | 1 |
| 17:14, 21 February 2013 | AHall NH3 FREQ.LOG (file) | |
24 KB | NH3 Files | 1 |
| 15:16, 24 February 2013 | AHall MO dig.png (file) |  |
32 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 1a2.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 1e a.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 1e b.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 2a1.png (file) |  |
2 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 2e a.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 2e b.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:16, 24 February 2013 | AHall 3a1.png (file) |  |
3 KB | Files for MO diagram of BH3 | 1 |
| 15:27, 24 February 2013 | AHall bh3 MO 1.png (file) |  |
19 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 2.png (file) |  |
29 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 3.png (file) |  |
32 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 4 HOMO.png (file) |  |
31 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 5 LUMO.png (file) |  |
29 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 6.png (file) |  |
32 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 7.png (file) |  |
35 KB | Calculated MOs for BH3 | 1 |
| 15:28, 24 February 2013 | AHall bh3 MO 8.png (file) |  |
33 KB | Calculated MOs for BH3 | 1 |
| 15:44, 24 February 2013 | AHall 1a1.png (file) |  |
1 KB | LCAO for BH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 1.png (file) |  |
12 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 2.png (file) |  |
24 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 3.png (file) |  |
31 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 4.png (file) |  |
30 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 5 HOMO.png (file) |  |
30 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 6 LUMO.png (file) |  |
40 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 7.png (file) |  |
39 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 MO 8.png (file) |  |
32 KB | MOs for NH3 | 1 |
| 12:58, 25 February 2013 | AHall NH3 spectrum.PNG (file) |  |
57 KB | IR spectrum for NH3 | 1 |
| 13:29, 25 February 2013 | AHall NH3 charge.png (file) |  |
21 KB | Added scale | 2 |
