Uploads by Yo113
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Date | Name | Thumbnail | Size | Description | Versions |
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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 |