User contributions for Aac211
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27 October 2013
- 13:0513:05, 27 October 2013 diff hist 0 File:HOMO cis butadiene alix.jpg uploaded a new version of "File:HOMO cis butadiene alix.jpg" current
- 13:0413:04, 27 October 2013 diff hist 0 File:LUMO cis butadiene alix.jpg uploaded a new version of "File:LUMO cis butadiene alix.jpg" current
25 October 2013
- 18:0418:04, 25 October 2013 diff hist +112 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 18:0318:03, 25 October 2013 diff hist 0 N File:Ethylene LUMO alix.JPG No edit summary current
- 18:0218:02, 25 October 2013 diff hist 0 N File:Ethylene HOMO alix.JPG No edit summary current
- 17:5917:59, 25 October 2013 diff hist 0 Rep:Mod:physMALIX9093 →Optimisation of Transition State
- 17:5417:54, 25 October 2013 diff hist +127 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 17:5317:53, 25 October 2013 diff hist 0 N File:Exo TS imag freq alix.gif No edit summary current
- 17:5217:52, 25 October 2013 diff hist 0 N File:Exo ts alix.JPG No edit summary current
- 17:5217:52, 25 October 2013 diff hist 0 N File:Exo IR freq alix.JPG No edit summary current
- 17:5117:51, 25 October 2013 diff hist 0 N File:Exo QST3 Always WORKING chk alix.fchk No edit summary current
- 17:5117:51, 25 October 2013 diff hist 0 N File:Exo QST3 Always WORKING alix.log No edit summary current
- 17:5017:50, 25 October 2013 diff hist 0 File:Endo LUMO1 alix.JPG uploaded a new version of "File:Endo LUMO1 alix.JPG" current
- 17:4717:47, 25 October 2013 diff hist 0 File:Exo HOMO1 alix.JPG uploaded a new version of "File:Exo HOMO1 alix.JPG" current
- 17:4717:47, 25 October 2013 diff hist 0 File:Exo LUMO1 alix.JPG uploaded a new version of "File:Exo LUMO1 alix.JPG" current
- 17:3917:39, 25 October 2013 diff hist +103 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 17:3817:38, 25 October 2013 diff hist 0 N File:Exo LUMO2 alix.JPG No edit summary current
- 17:3817:38, 25 October 2013 diff hist 0 N File:Exo LUMO1 alix.JPG No edit summary
- 17:3817:38, 25 October 2013 diff hist 0 N File:Exo HOMO2 alix.JPG No edit summary current
- 17:3717:37, 25 October 2013 diff hist 0 N File:Exo HOMO1 alix.JPG No edit summary
- 17:3617:36, 25 October 2013 diff hist +521 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 17:2417:24, 25 October 2013 diff hist +272 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 17:1817:18, 25 October 2013 diff hist 0 N File:Endo LUMO2 alix.JPG No edit summary current
- 17:1717:17, 25 October 2013 diff hist 0 N File:Endo LUMO1 alix.JPG No edit summary
- 17:1717:17, 25 October 2013 diff hist 0 N File:Endo HOMO2 alix.JPG No edit summary current
- 17:1717:17, 25 October 2013 diff hist 0 N File:Endo HOMO1 alix.JPG No edit summary current
- 17:1617:16, 25 October 2013 diff hist 0 N File:Endo ts alix.JPG No edit summary current
- 17:1617:16, 25 October 2013 diff hist 0 N File:Endo TS imag freq alix.gif No edit summary current
- 17:1517:15, 25 October 2013 diff hist 0 N File:Endo IR freq alix.JPG No edit summary current
- 17:1517:15, 25 October 2013 diff hist 0 N File:TS endo QST3 Always WORKING chk alix.fchk No edit summary current
- 17:1517:15, 25 October 2013 diff hist 0 N File:TS endo QST3 Always WORKING ALIX.log No edit summary current
- 17:1417:14, 25 October 2013 diff hist +48 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 17:0417:04, 25 October 2013 diff hist +518 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 16:5616:56, 25 October 2013 diff hist +32 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 16:5616:56, 25 October 2013 diff hist +17 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 16:4916:49, 25 October 2013 diff hist +84 Rep:Mod:physMALIX9093 →Optimising the Boat Transition State via the QST3 Method
- 16:4716:47, 25 October 2013 diff hist 0 N File:BOAT TS QST3 labels ALIX.JPG No edit summary current
- 16:4716:47, 25 October 2013 diff hist 0 N File:BOAT TS QST2 labels ALIX.JPG No edit summary current
- 16:4616:46, 25 October 2013 diff hist +187 Rep:Mod:physMALIX9093 →Optimising the Boat Transition State via the QST3 Method
- 16:3916:39, 25 October 2013 diff hist +137 Rep:Mod:physMALIX9093 →Optimising the Boat Transition State via the QST3 Method
- 16:3816:38, 25 October 2013 diff hist −1 Rep:Mod:physMALIX9093 →Optimising the Boat Transition State via the QST3 Method
- 16:3716:37, 25 October 2013 diff hist −1 Rep:Mod:physMALIX9093 →Optimising the Boat Transition State via the QST3 Method
- 16:3516:35, 25 October 2013 diff hist 0 File:BOAT QST3 ALIX.jpg uploaded a new version of "File:BOAT QST3 ALIX.jpg" current
- 16:3316:33, 25 October 2013 diff hist −1 Rep:Mod:physMALIX9093 →Revisited QST2 Method
- 16:3016:30, 25 October 2013 diff hist 0 File:BOAT QST2 METHOD 2 ALIX.jpg uploaded a new version of "File:BOAT QST2 METHOD 2 ALIX.jpg" current
- 16:2716:27, 25 October 2013 diff hist −2 Rep:Mod:physMALIX9093 →Optimisation by Freezing the Coordinates
- 16:2516:25, 25 October 2013 diff hist +57 Rep:Mod:physMALIX9093 →Optimisation by Freezing the Coordinates
- 16:2416:24, 25 October 2013 diff hist 0 N File:CHAIR TS labels ALIX.JPG No edit summary current
- 16:2316:23, 25 October 2013 diff hist 0 N File:Anti2 labels ALIX.JPG No edit summary current
- 16:2216:22, 25 October 2013 diff hist +260 Rep:Mod:physMALIX9093 →Optimisation by Freezing the Coordinates