Uploads by Kl1713
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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | Description | Versions |
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17:20, 22 October 2015 | Results summary for exo product.png (file) | ![]() |
13 KB | 1 | |
17:20, 22 October 2015 | Optimized exo product.mol (file) | ![]() |
2 KB | 1 | |
16:55, 22 October 2015 | Maleic anhydride results summary.png (file) | ![]() |
14 KB | 2 | |
16:55, 22 October 2015 | Optimized maleic anhydride structure.mol (file) | ![]() |
945 bytes | 1 | |
16:48, 22 October 2015 | LUMO for maleic anhydride.png (file) | ![]() |
143 KB | 1 | |
16:48, 22 October 2015 | HOMO for maleic anhydride.png (file) | ![]() |
145 KB | 1 | |
16:47, 22 October 2015 | LUMO for cyclohexa1,3diene.png (file) | ![]() |
149 KB | 1 | |
16:47, 22 October 2015 | HOMO for cyclohexa1,3diene.png (file) | ![]() |
153 KB | 1 | |
16:34, 22 October 2015 | Cyclohexa1,3diene optimized.mol (file) | ![]() |
1 KB | 1 | |
16:33, 22 October 2015 | Results summary for cyclohexa1,3diene.png (file) | ![]() |
14 KB | 1 | |
15:18, 22 October 2015 | Animation of lowest positive frequency.gif (file) | ![]() |
494 KB | 1 | |
14:44, 22 October 2015 | Labelled transition state.png (file) | ![]() |
139 KB | 1 | |
14:22, 22 October 2015 | IRC graph for ethene cis buta.png (file) | ![]() |
40 KB | 1 | |
14:21, 22 October 2015 | Irc for ts ethene+cisbutadiene.gif (file) | ![]() |
740 KB | 1 | |
13:50, 22 October 2015 | LUMO for transition state.png (file) | ![]() |
147 KB | 1 | |
13:49, 22 October 2015 | HOMO for transition state.png (file) | ![]() |
162 KB | 1 | |
13:39, 22 October 2015 | LUMO for ethene.png (file) | ![]() |
104 KB | 1 | |
13:39, 22 October 2015 | HOMO for ethene.png (file) | ![]() |
96 KB | 1 | |
13:28, 22 October 2015 | Imaginary frequency for ethene cis butadiene.gif (file) | ![]() |
527 KB | 2 | |
13:28, 22 October 2015 | Ts berny optimized structure.mol (file) | ![]() |
2 KB | Reverted to version as of 13:15, 22 October 2015 | 3 |
13:14, 22 October 2015 | Ts berny guess structure results summary.png (file) | ![]() |
13 KB | 1 | |
17:54, 21 October 2015 | Ethene structure.mol (file) | ![]() |
631 bytes | 1 | |
17:53, 21 October 2015 | Ethene results summary.png (file) | ![]() |
12 KB | 1 | |
17:26, 21 October 2015 | LUMO for cis butadiene.png (file) | ![]() |
71 KB | 1 | |
17:26, 21 October 2015 | HOMO for cis butadiene.png (file) | ![]() |
72 KB | 1 | |
17:16, 21 October 2015 | Cis butadiene am1semi.mol (file) | ![]() |
1,013 bytes | 1 | |
17:16, 21 October 2015 | Results summary cis butadiene.png (file) | ![]() |
12 KB | 1 | |
13:13, 21 October 2015 | Irc for chair movie.gif (file) | ![]() |
1.06 MB | 1 | |
13:09, 21 October 2015 | Reaction coord for chair.png (file) | ![]() |
44 KB | 1 | |
12:41, 21 October 2015 | Imaginary frequency for boat.gif (file) | ![]() |
1.18 MB | 1 | |
12:20, 21 October 2015 | Boat structure.mol (file) | ![]() |
2 KB | 1 | |
12:19, 21 October 2015 | Boat results summary.png (file) | ![]() |
13 KB | 1 | |
12:12, 21 October 2015 | Labels for boat.png (file) | ![]() |
106 KB | 1 | |
19:00, 20 October 2015 | Labelled TS structure.png (file) | ![]() |
45 KB | 1 | |
18:37, 20 October 2015 | Structure of ts frozen coord.mol (file) | ![]() |
2 KB | 1 | |
18:37, 20 October 2015 | Results summary frozen coord.png (file) | ![]() |
14 KB | 1 | |
18:14, 20 October 2015 | Imaginary frequency animation.gif (file) | ![]() |
750 KB | 1 | |
18:04, 20 October 2015 | Ir spectrum for ts berny.png (file) | ![]() |
15 KB | 1 | |
18:00, 20 October 2015 | Chair ts structure.mol (file) | ![]() |
2 KB | 1 | |
17:59, 20 October 2015 | Results of ts berny.png (file) | ![]() |
13 KB | 1 | |
17:36, 20 October 2015 | Allyl fragment.mol (file) | ![]() |
826 bytes | 3 | |
17:36, 20 October 2015 | Allyl fragment results.png (file) | ![]() |
12 KB | 1 | |
16:37, 20 October 2015 | Ir spectrum for anti2.png (file) | ![]() |
15 KB | 1 | |
16:36, 20 October 2015 | Frequency result summary anti2.png (file) | ![]() |
14 KB | 1 | |
15:35, 20 October 2015 | Labels for anti2.png (file) | ![]() |
54 KB | 1 | |
15:13, 20 October 2015 | Results for B3YLP 631G(d) reopt anti 2.png (file) | ![]() |
13 KB | 1 | |
13:26, 20 October 2015 | Results summary gauche.png (file) | ![]() |
12 KB | 1 | |
13:24, 20 October 2015 | Result summary for anti2.png (file) | ![]() |
12 KB | 1 | |
13:13, 20 October 2015 | HF321G hexadiene summary.png (file) | ![]() |
14 KB | 1 | |
14:35, 19 October 2015 | Gauche HF321-G opt.mol (file) | ![]() |
2 KB | 1 |