Uploads by Wd812
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 21:14, 9 November 2014 | IIRC.LOG (file) |  |
872 KB | 1 | |
| 21:05, 9 November 2014 | ITS AM1OPT.LOG (file) | |
140 KB | 1 | |
| 20:25, 9 November 2014 | ETHYLENE1.LOG (file) | |
106 KB | 1 | |
| 19:26, 9 November 2014 | I)631.LOG (file) | |
315 KB | 1 | |
| 19:26, 9 November 2014 | I)OPT2.LOG (file) | |
335 KB | Reverted to version as of 18:51, 9 November 2014 | 3 |
| 19:20, 9 November 2014 | I)631LUMO.PNG (file) | 631LUMO.PNG) |
75 KB | 1 | |
| 19:20, 9 November 2014 | I)631HOMO.PNG (file) | 631HOMO.PNG) |
74 KB | 1 | |
| 19:02, 9 November 2014 | I)LUMO.PNG (file) | LUMO.PNG) |
70 KB | 1 | |
| 19:02, 9 November 2014 | I)HOMO.PNG (file) | HOMO.PNG) |
64 KB | 1 | |
| 18:58, 9 November 2014 | LUMO.tif (file) | |
1.28 MB | 1 | |
| 18:58, 9 November 2014 | HOMO.tif (file) | |
1.27 MB | 3 | |
| 18:37, 9 November 2014 | F)IRC50.LOG (file) | |
462 KB | 1 | |
| 18:32, 9 November 2014 | E)QST2ORIENTATED.LOG (file) | |
86 KB | 3 | |
| 18:12, 9 November 2014 | F)II)IRC150.LOG (file) | |
462 KB | 1 | |
| 18:12, 9 November 2014 | F)I)STEP44MINIMIZATOIN.LOG (file) | |
236 KB | 1 | |
| 18:02, 9 November 2014 | F)IRC50.PNG (file) | IRC50.PNG) |
15 KB | 1 | |
| 17:55, 9 November 2014 | E)QST2freq.gif (file) | QST2freq.gif) |
1.09 MB | 2 | |
| 16:48, 9 November 2014 | D)IR opt=Modredundant.PNG (file) | IR_opt%3DModredundant.PNG) |
30 KB | 1 | |
| 16:31, 9 November 2014 | Optimized b).PNG (file) | .PNG) |
30 KB | 2 | |
| 16:30, 9 November 2014 | Optimized d).PNG (file) | .PNG) |
29 KB | 2 | |
| 16:03, 9 November 2014 | C)redundant coordinat setting.PNG (file) | redundant_coordinat_setting.PNG) |
40 KB | 1 | |
| 16:01, 9 November 2014 | D)differenciation(opt+fqc).mol (file) | |
2 KB | 1 | |
| 15:38, 9 November 2014 | B)opt=tsAnimation.gif (file) | opt%3DtsAnimation.gif) |
1.07 MB | 1 | |
| 15:37, 9 November 2014 | B)IR opt=ts.PNG (file) | IR_opt%3Dts.PNG) |
28 KB | 1 | |
| 15:34, 9 November 2014 | B)OPT=TSFREQUENCY.LOG (file) | |
376 KB | 2 | |
| 14:08, 9 November 2014 | IR631Ganti2fcq.PNG (file) |  |
28 KB | 2 | |
| 14:06, 9 November 2014 | 631ANTI2FCQ.LOG (file) | |
79 KB | 1 | |
| 13:50, 9 November 2014 | Anti2higherlevel.mol (file) | |
2 KB | 2 | |
| 13:49, 9 November 2014 | Hexadiene (anti1).mol (file) | |
971 bytes | 2 | |
| 13:44, 9 November 2014 | 631ANTI2.LOG (file) | |
392 KB | 1 | |
| 13:43, 9 November 2014 | 321ANTI2.LOG (file) | |
328 KB | 1 | |
| 12:24, 9 November 2014 | 631anti2.PNG (file) |  |
35 KB | 1 | |
| 12:21, 9 November 2014 | 321anti2.PNG (file) |  |
36 KB | 1 | |
| 10:43, 7 November 2014 | EIRC50path.PNG (file) |  |
31 KB | 1 | |
| 10:43, 7 November 2014 | EIRC50.LOG (file) | |
462 KB | 1 | |
| 10:27, 7 November 2014 | 631GANTI2FCQ.LOG (file) | |
80 KB | 1 | |
| 09:54, 7 November 2014 | QST2FQC2.LOG (file) | |
86 KB | 1 | |
| 09:51, 7 November 2014 | QST2FQC2.gjf (file) | |
1 KB | 1 | |
| 09:05, 7 November 2014 | E)renumbering.PNG (file) | renumbering.PNG) |
97 KB | 1 | |
| 08:58, 7 November 2014 | E)failQST2.PNG (file) | failQST2.PNG) |
69 KB | 1 | |
| 08:50, 7 November 2014 | E) numbering.PNG (file) | _numbering.PNG) |
107 KB | 1 | |
| 08:02, 7 November 2014 | B)ts state vibration.gif (file) | ts_state_vibration.gif) |
1.02 MB | 1 | |
| 03:56, 7 November 2014 | B)chair TS guess.mol (file) | |
2 KB | 1 | |
| 17:16, 6 November 2014 | 321Ganti2opt.mol (file) | |
2 KB | 1 | |
| 00:18, 5 November 2014 | Wd812 allyl fragment.mol (file) | |
815 bytes | 1 | |
| 15:12, 3 November 2014 | Wd812 The cope rearrangement.jpg (file) |  |
4 KB | 1 | |
| 14:25, 30 October 2014 | Hexadiene(anti2)B3LYP631G.mol (file) | |
2 KB | 1 | |
| 13:49, 30 October 2014 | Hexadiene(anti2).mol (file) | |
2 KB | 1 | |
| 16:03, 28 October 2014 | Hexadiene(gauche3).mol (file) | |
2 KB | 1 | |
| 15:22, 28 October 2014 | Hexadiene(gauche2).mol (file) | |
2 KB | 1 |
