Uploads by Aw2415
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:06, 12 February 2018 | Aw2415 Lattice Parameters QHA and MD.png (file) |  |
104 KB | 1 | |
| 13:03, 12 February 2018 | Aw2415 Volume vs T (MD).png (file) | .png) |
52 KB | 1 | |
| 13:00, 12 February 2018 | Aw2415 Volume vs T (QHA).png (file) | .png) |
59 KB | 1 | |
| 12:58, 12 February 2018 | Aw2415 Free energy vs T (QHA).png (file) | .png) |
46 KB | 1 | |
| 12:54, 12 February 2018 | Aw2415 16 and 32 DOS diagrams.png (file) |  |
48 KB | 1 | |
| 12:50, 12 February 2018 | Aw2415 MgO coventional unit cell.PNG (file) |  |
107 KB | 1 | |
| 12:11, 12 February 2018 | Aw2415 Free energy vs shrinking factor (QHA).png (file) | .png) |
57 KB | 1 | |
| 20:45, 11 February 2018 | Phonon dispersion and DOS aw2415.png (file) |  |
61 KB | 1 | |
| 13:19, 12 May 2017 | HHFEQBMaw2415.PNG (file) |  |
47 KB | 1 | |
| 19:18, 11 May 2017 | NewHH-HFEnergy.jpg (file) |  |
449 KB | 1 | |
| 17:16, 11 May 2017 | HHFReactivePESEXOENDOaw2415.jpg (file) |  |
838 KB | 2 | |
| 16:46, 11 May 2017 | HHFReactivePESENDO.PNG (file) |  |
80 KB | 1 | |
| 15:25, 11 May 2017 | HHFReactivePES.PNG (file) |  |
113 KB | 2 | |
| 13:54, 11 May 2017 | PEvsTEQBMHHF.PNG (file) |  |
44 KB | 1 | |
| 13:27, 11 May 2017 | InternuclearTSHHF.JPG (file) |  |
85 KB | 1 | |
| 18:42, 9 May 2017 | Atoms diagramHHHaw2415.jpg (file) |  |
33 KB | Atoms_diagramHHHaw2415.jpg | 1 |
| 18:42, 9 May 2017 | Atoms diagram.jpg (file) |  |
33 KB | 1 | |
| 18:20, 9 May 2017 | AlteringmomentumHHHaw2415.jpg (file) |  |
1.17 MB | 1 | |
| 18:06, 9 May 2017 | FWDREVHHHaw2415.jpg (file) |  |
513 KB | 1 | |
| 17:21, 9 May 2017 | DynamicandmepHHHaw2415.pdf (file) |  |
489 KB | 2 | |
| 17:11, 9 May 2017 | MepHHHaw2415.JPG (file) |  |
105 KB | 1 | |
| 17:08, 9 May 2017 | DynamicHHHaw2415.JPG (file) |  |
109 KB | 1 | |
| 16:44, 9 May 2017 | InternucleardistancestimeTSHHHaw2415.png (file) |  |
72 KB | 1 | |
| 16:34, 9 May 2017 | H+H2PES1aw2415.png (file) |  |
132 KB | A potential energy surface for an H + H2 system with the initial conditions set as r1(0) = 0.74, r2(0) = 2.30, p1(0)=0 and p2(0) = -2.7 | 1 |
| 14:00, 19 February 2016 | AW2415-CO (pi antibonding 1).png (file) | .png) |
315 KB | 1 | |
| 13:45, 19 February 2016 | AW2415-CO (IR Spectrum).png (file) | .png) |
9 KB | 1 | |
| 16:53, 18 February 2016 | AW2415-CO (2p bonding).png (file) | .png) |
403 KB | 1 | |
| 16:49, 18 February 2016 | AW2415-CO (pi bonding 1).png (file) | .png) |
340 KB | 1 | |
| 16:48, 18 February 2016 | AW2415-CO (sigma antibonding 2).png (file) | .png) |
334 KB | 2 | |
| 16:44, 18 February 2016 | AW2415-CO (sigma bonding 2).png (file) | .png) |
221 KB | 1 | |
| 16:39, 18 February 2016 | AW2415-CO (sigma antibonding 1).png (file) | .png) |
59 KB | 1 | |
| 16:24, 18 February 2016 | AW2415-CO (sigma bonding 1).png (file) | .png) |
38 KB | 1 | |
| 15:40, 18 February 2016 | AW2415-CO (charge analysis).png (file) | .png) |
82 KB | 1 | |
| 15:08, 18 February 2016 | AW2415-CO (vibrational analysis).png (file) | .png) |
12 KB | 1 | |
| 14:54, 18 February 2016 | AW2415-CO (FIRST OPTIMISATION).LOG (file) |  |
193 KB | 1 | |
| 14:50, 18 February 2016 | AW2415-CO (optimised).png (file) | .png) |
99 KB | 1 | |
| 19:00, 15 February 2016 | AW2415-N2 (molecular orbital-sigma).png (file) | .png) |
225 KB | 1 | |
| 18:59, 15 February 2016 | AW2415-N2 (molecular orbital-pi).png (file) | .png) |
353 KB | 1 | |
| 18:26, 15 February 2016 | AW2415-N2 (vibrational analysis).png (file) | .png) |
12 KB | 1 | |
| 18:25, 15 February 2016 | AW2415-N2 (OPTIMISED).LOG (file) | |
196 KB | 1 | |
| 18:24, 15 February 2016 | AW2415-N2 (optimised).png (file) | .png) |
23 KB | 1 | |
| 18:14, 15 February 2016 | AW2415-H2 (vibrational analysis).png (file) | .png) |
12 KB | 1 | |
| 18:12, 15 February 2016 | AW2415-H2 (optimised).png (file) | .png) |
18 KB | 1 | |
| 18:10, 15 February 2016 | AW2415 H2 (FIRST OPTIMISATION).LOG (file) | |
95 KB | 1 | |
| 17:49, 15 February 2016 | AW2415-NH3 - 2 (Charge analysis).png (file) | .png) |
33 KB | 1 | |
| 17:35, 15 February 2016 | AW2415-NH3 - 2 (Vibrational analysis).png (file) | .png) |
13 KB | 1 | |
| 17:09, 15 February 2016 | NH3 - 2 (FIRST OPTIMISATION).LOG (file) | |
228 KB | 1 | |
| 17:06, 15 February 2016 | NH3 - 2 (optimised).png (file) | .png) |
15 KB | 1 | |
| 17:04, 15 February 2016 | NH3 - Optimised.tif (file) | |
73 KB | 1 | |
| 17:02, 15 February 2016 | NH3 - 2 (first optimisation).gjf (file) | |
73 KB | 2 |
