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Uploads by Am5310

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
13:02, 7 December 2012 Exo structure am.gif (file) 43 KB   1
13:00, 7 December 2012 Endo structure annotated.gif (file) 45 KB   1
13:54, 6 December 2012 TRIAL D SEMIIMPERICAL.LOG (file) 442 KB   1
13:53, 6 December 2012 LUMO TS DA.jpg (file) 71 KB   1
13:53, 6 December 2012 HOMO TS DA.jpg (file) 75 KB   1
13:15, 6 December 2012 Ethene LUMO am.jpg (file) 60 KB   4
13:11, 6 December 2012 LUMO butadiene am.jpg (file) 60 KB   1
15:00, 4 December 2012 1 5 hexadiene anti 2 631G frequency trial 2.log (file) 78 KB   1
14:59, 4 December 2012 1,5 hexadiene anti(2) 631G trial 2.log (file) 138 KB   1
14:56, 4 December 2012 1 5 HEXADIENE GAUCHE 3.LOG (file) 186 KB   1
14:52, 4 December 2012 TRIAL D 631G MO.chk (file) 1.3 MB   1
14:51, 4 December 2012 Butadiene 631 optimisation MO.chk (file) 900 KB   2
14:43, 4 December 2012 BUTADIENE 631 OPTIMISATION.LOG (file) 73 KB   1
14:09, 4 December 2012 Endo vibration.mol2 (file) 1 KB   1
14:08, 4 December 2012 MO ENDO.gif (file) 46 KB   1
14:00, 4 December 2012 Exo vibration.mol2 (file) 1 KB   1
13:42, 4 December 2012 GUESS TS TRIAL 2 D.LOG (file) 771 KB   1
13:24, 4 December 2012 GUESS TS TRIAL 1 D TWICE MO.LOG (file) 722 KB   1
13:23, 4 December 2012 GUESS TS TRIAL 1 D TWICE 631G MO.LOG (file) 4 KB   1
13:06, 4 December 2012 MO HOMO LUMO am.gif (file) 47 KB   1
14:37, 3 December 2012 TRIAL D 631G MO.LOG (file) 697 KB   1
14:36, 3 December 2012 TRIAL D 631G.LOG (file) 245 KB   1
14:33, 3 December 2012 TRIAL D.LOG (file) 319 KB   1
14:30, 3 December 2012 BUTADIENE 631 OPTIMISATION MO.LOG (file) 317 KB   1
14:16, 3 December 2012 GUESS TS TRIAL 1 D TWICE.LOG (file) 371 KB   1
16:18, 30 November 2012 TS 631G.LOG (file) 315 KB   1
16:16, 30 November 2012 OPTIMISATION BOAT QST2 MODIFIED IRC.LOG (file) 532 KB   1
16:14, 30 November 2012 OPTIMISATION CHAIR 1 D TWICE IRC.LOG (file) 462 KB   1
16:06, 30 November 2012 OPTIMISATION BOAT QST2 MODIFIED.LOG (file) 556 KB   1
16:05, 30 November 2012 OPTIMISATION BOAT QST2 FAIL.LOG (file) 876 KB   1
16:03, 30 November 2012 OPTIMISATION CHAIR 1 D TWICE.LOG (file) 106 KB   1
15:05, 30 November 2012 TRIAL D vibration TS.mol2 (file) 973 bytes   1
15:00, 30 November 2012 IRC graph chair.png (file) 250 KB   1
14:55, 30 November 2012 IRC graph boat.gif (file) 247 KB   1
14:45, 30 November 2012 Boat IRC am.gif (file) 776 KB   3
13:24, 30 November 2012 DA ts homo lumo.gif (file) 47 KB   1
16:46, 29 November 2012 HOMO LUMO diagram.gif (file) 34 KB   1
15:52, 29 November 2012 Chair IRC.gif (file) 394 KB   4
15:39, 29 November 2012 OPTIMISATION BOAT QST2 MODIFIED.mol2 (file) 968 bytes   1
15:27, 29 November 2012 Optimisation boat QST2 fail.jpg (file) 121 KB   1
14:25, 29 November 2012 OPTIMISATION CHAIR 1 B.mol2 (file) 976 bytes   1
13:29, 29 November 2012 1 5 HEXADIENE GAUCHE 3.jpg (file) 57 KB   1
16:51, 27 November 2012 Optimisation chair 1 b.log (file) 112 KB   2
16:43, 27 November 2012 1 5 hexadiene gauche.chk (file) 1.25 MB   1
16:42, 27 November 2012 1 5 hexadiene anti 2.chk (file) 1.27 MB   1
16:41, 27 November 2012 1 5 hexadiene anti.chk (file) 1.25 MB   1
16:23, 27 November 2012 Anti 2 part1a.jpg (file) 89 KB   1
16:19, 27 November 2012 Anti 2 part1e.jpg (file) 88 KB   1
16:03, 27 November 2012 Gauche 2 part1b.jpg (file) 88 KB   1
14:32, 23 November 2012 NH3 FREQUENCY TRIAL3.LOG (file) 25 KB   1
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