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User contributions for Jm4311

Results for Jm4311 talk block log uploads logs

A user with 783 edits. Account created on 26 September 2013.

22:0922:09, 23 February 2014 diff hist +28 N File:20140223 O-up derivative opt freq B3LYP 6-31Gdp 88413 frequencies.svg O-up vibrational frequencies current
22:0822:08, 23 February 2014 diff hist +317 Mod:Epoxide Computational Chemistry →Returning to check the optimisations
22:0622:06, 23 February 2014 diff hist +605 Mod:Epoxide Computational Chemistry →Returning to check the optimisations
21:4821:48, 23 February 2014 diff hist +68 Mod:Epoxide Computational Chemistry →Returning to check the optimisations
21:4521:45, 23 February 2014 diff hist +14 Mod:Epoxide Computational Chemistry →Returning to check the optimisations
21:4521:45, 23 February 2014 diff hist +17 N File:20140223 O-down derivative opt freq B3LYP 6-31Gdp 88414.mol O-down isomer HPC current
21:4421:44, 23 February 2014 diff hist +12 Mod:Epoxide Computational Chemistry →Returning to check the optimisations
21:4421:44, 23 February 2014 diff hist +15 N File:20140223 O-up derivative opt freq B3LYP 6-31Gdp 88413.mol O-up isomer HPC current
21:3821:38, 23 February 2014 diff hist +146 Mod:Epoxide Computational Chemistry No edit summary
21:3521:35, 23 February 2014 diff hist +1 Mod:Epoxide Computational Chemistry →Starting optimisations
21:3521:35, 23 February 2014 diff hist +4 Mod:Epoxide Computational Chemistry →Starting optimisations
21:3421:34, 23 February 2014 diff hist +81 Mod:Epoxide Computational Chemistry →Starting optimisations
21:3421:34, 23 February 2014 diff hist +13 N File:20140222 Taxol precursor O really down from Avogadro 2.mol O-down isomer current
21:3221:32, 23 February 2014 diff hist +79 Mod:Epoxide Computational Chemistry →Starting optimisations
21:3121:31, 23 February 2014 diff hist +11 N File:20140222 Taxol precursor O really up from Avogadro 2.mol O-up isomer current
21:2921:29, 23 February 2014 diff hist −32 Mod:Epoxide Computational Chemistry →Starting optimisations
21:2821:28, 23 February 2014 diff hist +13 N File:20140222 Taxol precursor rough drawing 1a.mol Rough drawing current
21:2621:26, 23 February 2014 diff hist +96 Mod:Epoxide Computational Chemistry No edit summary
21:2421:24, 23 February 2014 diff hist +666 Mod:Epoxide Computational Chemistry →Starting optimisations
21:1221:12, 23 February 2014 diff hist +21 Mod:Epoxide Computational Chemistry →Starting optimisations

22:4722:47, 22 February 2014 diff hist +533 Mod:Epoxide Computational Chemistry No edit summary
22:4322:43, 22 February 2014 diff hist −1 Mod:Epoxide Computational Chemistry No edit summary
22:3822:38, 22 February 2014 diff hist +578 Mod:Epoxide Computational Chemistry No edit summary
22:3322:33, 22 February 2014 diff hist +1,631 N Mod:Epoxide Computational Chemistry Created page with " ==Starting optimisations== Having drawn '''this''' taxol precursor in ChemDraw Pro 13.0 and optimised it to '''this''' structure with the MMFF94 force field in Avogadro, which..."
22:0222:02, 22 February 2014 diff hist +15 Rep:Mod:MJM444 →Starting optimisations
22:0222:02, 22 February 2014 diff hist +601 Rep:Mod:MJM444 No edit summary

17:0317:03, 14 February 2014 diff hist −41 Rep:Mod:MJM333 →Cope rearrangement
17:0017:00, 14 February 2014 diff hist 0 Rep:Mod:MJM333 →Conclusion
16:5916:59, 14 February 2014 diff hist +441 Rep:Mod:MJM333 No edit summary
16:3416:34, 14 February 2014 diff hist −1 Rep:Mod:MJM333 →Computational model
16:3316:33, 14 February 2014 diff hist +178 Rep:Mod:MJM333 →HOMO-LUMO energy gaps
16:3016:30, 14 February 2014 diff hist +497 Rep:Mod:MJM333 →Computational model
16:2216:22, 14 February 2014 diff hist +314 Rep:Mod:MJM333 →Computational model
14:1814:18, 14 February 2014 diff hist −360 Rep:Mod:MJM333 →Computational model
14:1814:18, 14 February 2014 diff hist −3 Rep:Mod:MJM333 →Computational model
14:1214:12, 14 February 2014 diff hist +382 Rep:Mod:MJM333 →Computational model
14:0614:06, 14 February 2014 diff hist −4 Rep:Mod:MJM333 →HOMO-LUMO energy gaps
14:0314:03, 14 February 2014 diff hist +299 Rep:Mod:MJM333 No edit summary
14:0114:01, 14 February 2014 diff hist +39 Rep:Mod:MJM333 No edit summary
13:5913:59, 14 February 2014 diff hist 0 N File:Nitrohexene cube.cub.jvxl No edit summary current
13:5913:59, 14 February 2014 diff hist +26 Rep:Mod:MJM333 No edit summary
13:5913:59, 14 February 2014 diff hist 0 N File:Nitrohexene cube.cub.xyz No edit summary current
13:5313:53, 14 February 2014 diff hist +20,497 N Rep:Mod:MJM333oooo Created page with "This examination of cycloadditions with computational calculations of varying complexity up to the B3LYP/6-31G* model chemistry includes the Diels-Alder cycloaddition between mal..."
13:5213:52, 14 February 2014 diff hist +45 Rep:Mod:MJM333 →A closer look: recalculating at the B3LYP/6-31G* level of theory
13:5113:51, 14 February 2014 diff hist +635 Rep:Mod:MJM333 →Comparison: exo or endo?
13:4413:44, 14 February 2014 diff hist +71 Rep:Mod:MJM333 No edit summary
13:4213:42, 14 February 2014 diff hist +8 N File:HOMO Exo B3LYP 6-31Gd aboijogiaj.png Exo HOMO current
13:4113:41, 14 February 2014 diff hist +150 Rep:Mod:MJM333 No edit summary
13:4013:40, 14 February 2014 diff hist +9 N File:HOMO Endo B3LYP 6-31Gd agowjigjio.png Endo HOMO current
13:3313:33, 14 February 2014 diff hist +524 Rep:Mod:MJM333 →Comparison: exo or endo?

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