User contributions for Jlm07
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15 December 2009
- 15:0715:07, 15 December 2009 diff hist −3 Rep:Mod.3jlm07 No edit summary
- 15:0715:07, 15 December 2009 diff hist +79 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 15:0515:05, 15 December 2009 diff hist +204 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 15:0115:01, 15 December 2009 diff hist +112 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 14:5514:55, 15 December 2009 diff hist +467 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 14:5014:50, 15 December 2009 diff hist +168 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 14:4814:48, 15 December 2009 diff hist +452 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 14:4014:40, 15 December 2009 diff hist +148 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:3614:36, 15 December 2009 diff hist +179 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:3414:34, 15 December 2009 diff hist +806 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:2914:29, 15 December 2009 diff hist 0 N File:Jlm boatTSQST2opt+freqsuccess.jpg No edit summary current
- 14:2514:25, 15 December 2009 diff hist 0 N File:Jlm boatTSQST2opt+freqinput.jpg No edit summary current
- 14:2414:24, 15 December 2009 diff hist +217 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:2114:21, 15 December 2009 diff hist +337 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:1314:13, 15 December 2009 diff hist +296 Rep:Mod.3jlm07 →'''Boat Optimisation'''
- 14:1214:12, 15 December 2009 diff hist 0 N File:Jlm boatTSQST2opt+freqfail.jpg No edit summary current
- 14:0914:09, 15 December 2009 diff hist 0 N File:Jlm boatstructuresinput.jpg No edit summary current
- 13:4513:45, 15 December 2009 diff hist +656 Rep:Mod.3jlm07 →'''Boat Optimisation'''
14 December 2009
- 10:5510:55, 14 December 2009 diff hist +213 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 10:5410:54, 14 December 2009 diff hist 0 N File:Jlm chair FCeverystep.jpg No edit summary current
- 10:5310:53, 14 December 2009 diff hist 0 N File:Jlm chair IRC 100points.jpg No edit summary current
- 10:5210:52, 14 December 2009 diff hist 0 N File:Jlm chair IRC min.jpg No edit summary current
- 10:5110:51, 14 December 2009 diff hist 0 N File:Jlm chairIRC2.jpg No edit summary current
13 December 2009
- 16:0916:09, 13 December 2009 diff hist +370 Rep:Mod.3jlm07 →'''Following minimum energy path on the potential energy surface; IRC'''
- 16:0616:06, 13 December 2009 diff hist 0 N File:Jlm chairIRC.jpg No edit summary current
- 16:0516:05, 13 December 2009 diff hist 0 N File:Jlm chairIRCTE.jpg No edit summary current
- 16:0316:03, 13 December 2009 diff hist +537 Rep:Mod.3jlm07 →'''Optimising the "chair" and "boat" transition structures'''
- 13:5913:59, 13 December 2009 diff hist +171 Rep:Mod.3jlm07 →'''Chair Transition State'''
- 13:5613:56, 13 December 2009 diff hist +1,033 Rep:Mod.3jlm07 →'''Chair Transition State'''
- 13:4313:43, 13 December 2009 diff hist +1,243 Rep:Mod.3jlm07 No edit summary
- 13:2913:29, 13 December 2009 diff hist +375 Rep:Mod.3jlm07 →'''Optimising the "chair" and "boat" transition structures'''
- 13:2613:26, 13 December 2009 diff hist 0 N File:Jlm chairTS lablledredOF.jpg No edit summary current
- 13:2513:25, 13 December 2009 diff hist 0 N File:Jlm chairTS method2part1.jpg No edit summary current
12 December 2009
- 15:1715:17, 12 December 2009 diff hist +1,054 Rep:Mod.3jlm07 →'''Chair Transition State'''
- 15:0415:04, 12 December 2009 diff hist +312 Rep:Mod.3jlm07 →'''Chair Transition State'''
- 15:0215:02, 12 December 2009 diff hist 0 N File:Jlm chairTS 818vib2.jpg No edit summary current
- 15:0215:02, 12 December 2009 diff hist 0 N File:Jlm chairTS 818vib.jpg No edit summary current
- 15:0215:02, 12 December 2009 diff hist 0 N File:Jlm chairTS BL.jpg No edit summary current
- 14:5514:55, 12 December 2009 diff hist +888 Rep:Mod.3jlm07 →'''Optimising the "chair" and "boat" transition structures'''
- 14:4014:40, 12 December 2009 diff hist +1,156 Rep:Mod.3jlm07 →'''Optimising the "chair" and "boat" transition structures'''
- 14:3414:34, 12 December 2009 diff hist 0 N File:Jlm chairTS guess.jpg No edit summary current
- 14:2914:29, 12 December 2009 diff hist 0 N File:Jlm opt allylfrag.jpg No edit summary current
- 14:2714:27, 12 December 2009 diff hist +313 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 14:0914:09, 12 December 2009 diff hist +1 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 14:0614:06, 12 December 2009 diff hist +859 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 14:0014:00, 12 December 2009 diff hist +369 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 13:4413:44, 12 December 2009 diff hist +549 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 13:4113:41, 12 December 2009 diff hist 0 N File:Jlm anti2 6321Gd IR.jpg No edit summary current
- 13:3213:32, 12 December 2009 diff hist +205 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''
- 13:2913:29, 12 December 2009 diff hist +388 Rep:Mod.3jlm07 →'''Running more accurate Optimisations on anti 2 conformation'''