Uploads by Ds2909
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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | Description | Versions |
---|---|---|---|---|---|
23:20, 14 November 2011 | DSBOATCHAIRTS.png (file) | ![]() |
7 KB | 1 | |
16:21, 11 November 2011 | DSboat IRC calcall graph.PNG (file) | 51 KB | 1 | ||
16:19, 11 November 2011 | Boat irc50 animation.gif (file) | ![]() |
303 KB | 5 | |
16:19, 11 November 2011 | Boat IRC calcall lowest enegy structure.PNG (file) | 13 KB | 1 | ||
16:08, 11 November 2011 | DSChiarIRC50graph.PNG (file) | 50 KB | 1 | ||
16:02, 11 November 2011 | DS GraphIRC50.PNG (file) | 48 KB | 2 | ||
16:02, 11 November 2011 | Boat irc50 last stucture.PNG (file) | 14 KB | 2 | ||
14:50, 11 November 2011 | DSEXO HOMO-2.PNG (file) | 150 KB | 1 | ||
14:50, 11 November 2011 | DSEXO HOMO.PNG (file) | 183 KB | 1 | ||
14:50, 11 November 2011 | DSEXO HOMO-1.PNG (file) | 167 KB | 1 | ||
14:50, 11 November 2011 | DSENDO HOMO-2.PNG (file) | 150 KB | 1 | ||
14:50, 11 November 2011 | DSENDO HOMO.PNG (file) | 189 KB | 1 | ||
14:50, 11 November 2011 | DSENDO HOMO-1.PNG (file) | 177 KB | 1 | ||
14:18, 11 November 2011 | DSEXOTS.PNG (file) | 183 KB | 1 | ||
14:09, 11 November 2011 | Exo anctually endo animation.gif (file) | ![]() |
894 KB | 2 | |
14:04, 11 November 2011 | DS EXOTSStructure.PNG (file) | 62 KB | 1 | ||
13:30, 11 November 2011 | DS endo TS animation.gif (file) | ![]() |
556 KB | 1 | |
13:30, 11 November 2011 | DSEndo TS structure numbered.PNG (file) | 131 KB | 1 | ||
12:02, 11 November 2011 | DSmec.png (file) | ![]() |
22 KB | 1 | |
11:34, 11 November 2011 | DS first positive vuibration.gif (file) | ![]() |
404 KB | 1 | |
10:52, 11 November 2011 | DSTS structure.PNG (file) | 152 KB | 2 | ||
10:48, 11 November 2011 | DSLUMOTS.PNG (file) | 142 KB | 1 | ||
23:55, 10 November 2011 | Bicycloguess.png (file) | ![]() |
5 KB | 2 | |
21:03, 10 November 2011 | DSHOMO of TS.PNG (file) | 232 KB | 1 | ||
20:54, 10 November 2011 | DSts animation.gif (file) | ![]() |
816 KB | 1 | |
19:46, 10 November 2011 | DSbutadiene LUMO.PNG (file) | 147 KB | 1 | ||
19:45, 10 November 2011 | DSbutadiene HOMO.PNG (file) | 145 KB | 1 | ||
19:10, 10 November 2011 | DS chair both IRC Calcall.PNG (file) | 50 KB | 1 | ||
19:09, 10 November 2011 | DS intrisinc reaction coord IRC calcall.PNG (file) | 27 KB | 1 | ||
19:08, 10 November 2011 | DS Total energy IRC calcall.PNG (file) | 21 KB | 1 | ||
19:06, 10 November 2011 | DS chair IRC calcall animation.gif (file) | ![]() |
195 KB | 1 | |
19:06, 10 November 2011 | Ds chiarIRC calcall result.PNG (file) | 32 KB | 1 | ||
18:34, 10 November 2011 | Chair RMS grad norm alog IRC.PNG (file) | 19 KB | 1 | ||
18:33, 10 November 2011 | Chair total energy along IRC.PNG (file) | 18 KB | 1 | ||
18:29, 10 November 2011 | DSchiar TS IRC50 result.PNG (file) | 32 KB | 2 | ||
18:26, 10 November 2011 | DSchiar TS IRC50 animation.gif (file) | ![]() |
119 KB | 1 | |
00:33, 10 November 2011 | DS QST2 modified freq animation.gif (file) | ![]() |
760 KB | 1 | |
00:31, 10 November 2011 | Boat TS Structure.JPG (file) | 28 KB | 1 | ||
23:30, 9 November 2011 | DS Chair modified geom.JPG (file) | 34 KB | 1 | ||
23:23, 9 November 2011 | QSTS result not converged.JPG (file) | 24 KB | 1 | ||
23:12, 9 November 2011 | QSTS setup.JPG (file) | 62 KB | 1 | ||
16:49, 9 November 2011 | DS Chair TS FreezeC.JPG (file) | 18 KB | 1 | ||
15:00, 9 November 2011 | DS TS berny animation.GIF (file) | 663 KB | 1 | ||
14:57, 9 November 2011 | DS TS berny animation.gif (file) | ![]() |
663 KB | 1 | |
14:56, 9 November 2011 | DS TS Berny.JPG (file) | 17 KB | 1 | ||
13:33, 9 November 2011 | CHIAR TS BERNY.mol (file) | ![]() |
2 KB | 1 | |
01:01, 9 November 2011 | DSanti2 IR Spectra.JPG (file) | 79 KB | 1 | ||
21:50, 8 November 2011 | Gauche3 secondry interaction.JPG (file) | 16 KB | 1 | ||
19:37, 8 November 2011 | DSreact gauche3.mol (file) | ![]() |
2 KB | 1 | |
19:21, 8 November 2011 | DSreact gauche4.mol (file) | ![]() |
2 KB | 1 |