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Uploads by Kl1713

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
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
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