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Uploads by Ss7009

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Date Name Thumbnail Size Description Versions
16:45, 16 December 2011 Gauche1.chk (file) 936 KB   1
16:39, 16 December 2011 EXO LUMO+1.PNG (file) 71 KB   1
16:39, 16 December 2011 EXO HOMO-1.PNG (file) 94 KB   1
16:39, 16 December 2011 ENDO LUMO+1.PNG (file) 64 KB   1
16:39, 16 December 2011 ENDO HOMO-1.PNG (file) 88 KB   1
11:48, 16 December 2011 NUMBERINGIMAGEAFTERANGLESALTERED.png (file) 95 KB   1
11:48, 16 December 2011 NUMBERINGIMAGE(2).png (file) 81 KB   1
21:24, 15 December 2011 Product emdo.mol (file) 2 KB   1
17:19, 15 December 2011 IRC total energy IRC(3).png (file) 1.61 MB   1
17:19, 15 December 2011 IRC gradient IRC(3).png (file) 1.61 MB   1
17:19, 15 December 2011 EXO IRC image(111) (3).PNG (file) 110 KB   1
17:19, 15 December 2011 ENDO IRC totalenergy (3).png (file) 1.61 MB   1
17:19, 15 December 2011 ENDO IRC gradient (3).png (file) 1.61 MB   1
17:19, 15 December 2011 124stepimageendoirc(3).PNG (file) 123 KB   1
15:07, 15 December 2011 Gauche3DFT HOMO.PNG (file) 61 KB   1
15:07, 15 December 2011 Anti2dft HOMO.PNG (file) 49 KB   1
14:39, 15 December 2011 Gauche3 HOMO.PNG (file) 55 KB   1
14:39, 15 December 2011 Anti2 HOMO.PNG (file) 46 KB   1
12:50, 15 December 2011 IRC total energy IRC.png (file) 1.49 MB   1
12:50, 15 December 2011 IRC gradient IRC.png (file) 1.73 MB   1
12:50, 15 December 2011 EXO IRC image88step.PNG (file) 102 KB   1
12:50, 15 December 2011 ENDO totalenergycurve IRC.png (file) 1.61 MB   2
12:50, 15 December 2011 ENDO gradinet IRC.png (file) 1.61 MB   2
12:50, 15 December 2011 26stepimageendoIRC.PNG (file) 121 KB   1
17:52, 14 December 2011 Endo ts opt(2).mol (file) 2 KB   1
17:51, 14 December 2011 Endofreqimaginaryfreq.gif (file) 441 KB   1
17:36, 14 December 2011 Exoimaginaryfreq.gif (file) 449 KB   1
17:25, 14 December 2011 HOMOcyclohexene.PNG (file) 76 KB   1
17:25, 14 December 2011 LUMOcyclohexene.PNG (file) 73 KB   1
17:25, 14 December 2011 HOMOmaleicanhydride.PNG (file) 72 KB   1
17:25, 14 December 2011 LUMOmaleicanhydride.PNG (file) 66 KB   1
17:05, 14 December 2011 Tsoptsecondfrozencoordinate(2).mol (file) 2 KB   1
16:02, 14 December 2011 Reactionschememaelicacid.png (file) 25 KB   1
15:46, 14 December 2011 Reaction schemedielsalder.png (file) 7 KB   1
13:47, 14 December 2011 LUMOfreezecorrdinatemethod.PNG (file) 89 KB   1
13:47, 14 December 2011 HOMOfreezecorrdinatemethod.PNG (file) 94 KB   1
13:33, 14 December 2011 Freezecoordinatemethodfirstpositive freq.gif (file) 549 KB   1
13:33, 14 December 2011 Secondfreezecooridnate.mol (file) 2 KB   1
13:33, 14 December 2011 Freezecoordinatemethodimaginary freq.gif (file) 527 KB   1
18:42, 13 December 2011 Guess tsB3lyp.mol (file) 2 KB   1
18:27, 13 December 2011 Guess tsfinalfreezemethod.mol (file) 2 KB   1
16:58, 13 December 2011 HOMObutadiene.PNG (file) 83 KB   1
16:58, 13 December 2011 LUMObutadiene.PNG (file) 79 KB   1
12:26, 13 December 2011 IRCchair totalenergycurvesecondtrial.png (file) 1.61 MB   1
12:25, 13 December 2011 IRCchair totalenergycurvethirdtrial.png (file) 1.61 MB   1
12:25, 13 December 2011 IRCchair totalenergycurvefirsttrialtoscan.png (file) 1.61 MB   1
12:25, 13 December 2011 IRCchair totalenergycurvefirstBOAT.png (file) 1.52 MB   1
12:22, 13 December 2011 IRCchairgradientgraphtrial2image2.png (file) 1.61 MB   1
12:16, 13 December 2011 IRCchair rmsgradientnormthirdtrial.png (file) 1.61 MB   1
12:16, 13 December 2011 IRCchair rmsgradientnormfirsttrialtoscan.png (file) 1.61 MB   1
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