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Uploads by Yo113

This special page shows all uploaded files.

File list
Date Name Thumbnail Size Description Versions
17:17, 5 November 2015 Exoendostructures.png (file) 15 KB   1
16:31, 5 November 2015 Endo and exo.png (file) 14 KB   1
18:17, 3 November 2015 EndoTSHOMO.jpg (file) 67 KB   2
18:17, 3 November 2015 ExoTSHOMO.jpg (file) 73 KB   2
18:14, 3 November 2015 EndoTSstructure.jpg (file) 85 KB   1
18:13, 3 November 2015 ExoTSstructure.jpg (file) 80 KB   1
17:30, 3 November 2015 TSlowestpositivefreqanimation.gif (file) 632 KB   1
17:17, 3 November 2015 TSimaginaryfreqanimation.gif (file) 605 KB   1
13:53, 3 November 2015 LUMO-butadienetheneTS.jpg (file) 82 KB   1
13:51, 3 November 2015 HOMO-butadienetheneTS.jpg (file) 89 KB   1
13:35, 3 November 2015 GeometryofbutadienetheneTS.jpg (file) 93 KB   1
13:24, 3 November 2015 CisbutadieneLUMOyo.jpg (file) 61 KB   1
13:20, 3 November 2015 CisbutadieneHOMO.jpg (file) 57 KB   4
22:13, 2 November 2015 BoatTSyo.png (file) 111 KB   1
22:10, 2 November 2015 SideviewoferroneousTS.png (file) 168 KB   1
21:56, 2 November 2015 Qst2topview.png (file) 143 KB QST2opt-topview 1
21:52, 2 November 2015 ChairTSoptmodredundant.png (file) 113 KB Geometry of Chair Transition State after HF/3-21G optimisation and further optimisation using the Frozen Coordinate Method 1
21:48, 2 November 2015 ChairTS321gopt.png (file) 111 KB Geometry of the chair transition state optimised at HF/3-21G level 1
20:12, 2 November 2015 APPCi-optimised-DFT-6-31G.png (file) 46 KB 1,5-hexadiene antiperiplanar structure with Ci symmetry - optimised at DFT-6-31G level 1
20:02, 2 November 2015 APPCi-unoptimised.png (file) 94 KB 1,5-hexadiene antiperiplanar structure with Ci symmetry - unoptimised 1
16:21, 29 October 2015 I.jpg (file) 335 KB   1