Uploads by Ja1915
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 09:16, 20 December 2017 | Ja1915Helmholtz.PNG (file) |  |
884 bytes | 1 | |
| 16:44, 18 December 2017 | Ja1915-Lattice parameter.PNG (file) |  |
12 KB | 1 | |
| 16:36, 18 December 2017 | Ja1915-QHA Free energy.PNG (file) |  |
15 KB | 2 | |
| 15:32, 18 December 2017 | Ja1915-E=NV.png (file) |  |
1 KB | 1 | |
| 14:59, 18 December 2017 | Ja1915-MD.PNG (file) |  |
13 KB | 1 | |
| 14:59, 18 December 2017 | Ja1915-QHA2.PNG (file) |  |
13 KB | 1 | |
| 14:58, 18 December 2017 | Ja1915QHA.PNG (file) |  |
43 KB | Reverted to version as of 19:28, 17 December 2017 | 3 |
| 14:55, 18 December 2017 | Ja1915Both computational methods.PNG (file) |  |
22 KB | 1 | |
| 19:30, 17 December 2017 | Ja1915-Thermal coefficient equation.PNG (file) |  |
2 KB | 1 | |
| 19:28, 17 December 2017 | Ja1915HA.PNG (file) |  |
18 KB | 1 | |
| 19:25, 17 December 2017 | Ja1915-2900 zero point energy.PNG (file) |  |
6 KB | 1 | |
| 19:24, 17 December 2017 | Ja1915-100 Zero point energy.PNG (file) |  |
6 KB | 1 | |
| 19:24, 17 December 2017 | Ja1915-Helmholtz.PNG (file) |  |
30 KB | 1 | |
| 19:22, 17 December 2017 | Ja1915Frequency of phonon.PNG (file) |  |
4 KB | 1 | |
| 19:20, 17 December 2017 | Ja1915Phonon density of states 32x32x32.PNG (file) |  |
11 KB | 1 | |
| 19:19, 17 December 2017 | Ja1915-16x16x16.PNG (file) |  |
11 KB | 1 | |
| 19:17, 17 December 2017 | Ja1915-Phonon K value for question 1.PNG (file) |  |
6 KB | 1 | |
| 19:16, 17 December 2017 | Phonon dispersion GULP first.PNG (file) |  |
14 KB | 1 | |
| 19:15, 17 December 2017 | Phonon density of states 1x1x1-ja1915.PNG (file) |  |
5 KB | 1 | |
| 19:13, 17 December 2017 | Ja1915-Phonon density of states 1x1x1.PNG (file) |  |
6 KB | 1 | |
| 19:10, 17 December 2017 | Reciprocal space-ja1915.PNG (file) |  |
1 KB | 1 | |
| 19:06, 17 December 2017 | Harmonic equation-ja1915.PNG (file) |  |
4 KB | 1 | |
| 11:10, 8 November 2017 | Ja1915-Frequency.PNG (file) |  |
1 KB | 1 | |
| 10:01, 8 November 2017 | Ja1915-CHELATROPICTSOPTIRC.LOG (file) |  |
1.52 MB | 1 | |
| 09:59, 8 November 2017 | Ja1915-Other-Diels-EXOPM6.LOG (file) | |
308 KB | 1 | |
| 09:57, 8 November 2017 | Ja1915-XYLELENE-PM6.LOG (file) | |
540 KB | 1 | |
| 09:56, 8 November 2017 | Ja1915-SO2-PM6.LOG (file) | |
80 KB | 1 | |
| 09:55, 8 November 2017 | Ja1915-Other-diels-ENDOPM6.LOG (file) | |
881 KB | 1 | |
| 09:54, 8 November 2017 | Ja1915-EXOEXCERCISE3IRC.LOG (file) | |
1.06 MB | 1 | |
| 09:52, 8 November 2017 | Ja1915-ENDOIRCEXCERCISE3.LOG (file) | |
921 KB | 1 | |
| 09:51, 8 November 2017 | Ja1915-CHELATROPICTSOPTPM6.LOG (file) | |
303 KB | 1 | |
| 09:51, 8 November 2017 | Ja1915-ENDOPM6EXCERCISE 3.LOG (file) | |
252 KB | 1 | |
| 09:49, 8 November 2017 | Ja1915-Exercise3-EXO-IRC.LOG (file) | |
1.27 MB | 1 | |
| 09:48, 8 November 2017 | Ja1915-Exercise-3-EXOPM6TS.LOG (file) | |
617 KB | 1 | |
| 19:03, 7 November 2017 | Ja1915-MO for exercise 2.PNG (file) |  |
43 KB | 1 | |
| 19:03, 7 November 2017 | MO for exercise 2.PNG (file) |  |
282 KB | 2 | |
| 17:58, 7 November 2017 | Ja1915-Potential energy surface diagram.PNG (file) |  |
361 KB | 1 | |
| 14:55, 7 November 2017 | Ja1915-MO diagram of butadiene and ethene-new.PNG (file) |  |
38 KB | 1 | |
| 13:54, 7 November 2017 | Ja1915-Reaction profile.PNG (file) |  |
22 KB | 1 | |
| 13:40, 7 November 2017 | Ja1915-Reaction Profile.cdx (file) | |
10 KB | 1 | |
| 13:34, 7 November 2017 | Ja1915-Secondary orbital interactions EXO.PNG (file) |  |
145 KB | 1 | |
| 13:27, 7 November 2017 | Ja1915-Secondary orbital interactions.PNG (file) |  |
154 KB | 1 | |
| 09:37, 7 November 2017 | Ja1915-EXOAFTERFREEZEOPTIMISATIONTSB3LYP.LOG (file) | |
3.6 MB | 1 | |
| 09:22, 7 November 2017 | Ja1915-ENDOAFTERFREEZEB3LYP.LOG (file) | |
3.67 MB | 1 | |
| 09:17, 7 November 2017 | Ja1915-JMOL TRANSITION STATE 1.LOG (file) | |
285 KB | 1 | |
| 09:11, 7 November 2017 | Ja1915-Mechanism of Butadiene and ethene.PNG (file) |  |
4 KB | 1 | |
| 19:52, 6 November 2017 | Ja1915-Mo diagram for exercise 2.PNG (file) |  |
40 KB | 1 | |
| 19:47, 6 November 2017 | Ja1915-MO diagram for excercise 1.PNG (file) |  |
38 KB | 1 | |
| 19:34, 6 November 2017 | Ja1915-MO diagram of butadiene and ethene.PNG (file) |  |
39 KB | 1 | |
| 19:28, 6 November 2017 | Ja1915-Transition state vibration.gif (file) |  |
602 KB | 1 |
