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User contributions for Ir208

Results for Ir208 talk block log uploads logs

A user with 378 edits. Account created on 6 November 2009.

16:3716:37, 18 February 2011 diff hist 0 N File:HOMOcisbutad.JPG No edit summary current
16:3616:36, 18 February 2011 diff hist 0 N File:HOMOoptbernyder.JPG No edit summary current
16:3516:35, 18 February 2011 diff hist 0 N File:LUMOopttsberyder631.JPG No edit summary current
16:2616:26, 18 February 2011 diff hist 0 N File:Cisbutadieneoptimisation.JPG No edit summary current
16:1516:15, 18 February 2011 diff hist +82 Rep:Mod:3ir208 →Transition state and reactivity
16:1516:15, 18 February 2011 diff hist 0 N File:Copescheme.JPG No edit summary current
16:0316:03, 18 February 2011 diff hist +63 Rep:Mod:3ir208 →Transition state and reactivity
16:0116:01, 18 February 2011 diff hist −137 Rep:Mod:3ir208 →Intrinsic reaction coordinates
16:0016:00, 18 February 2011 diff hist −1 Rep:Mod:3ir208 →Intrinsic reaction coordinates
16:0016:00, 18 February 2011 diff hist +213 Rep:Mod:3ir208 →Intrinsic reaction coordinates
15:4815:48, 18 February 2011 diff hist +1 Rep:Mod:3ir208 →Optimisation via Q2ST method
15:4815:48, 18 February 2011 diff hist −236 Rep:Mod:3ir208 →Boat transition state
15:4715:47, 18 February 2011 diff hist +1 Rep:Mod:3ir208 →Chair transition state
15:4715:47, 18 February 2011 diff hist 0 Rep:Mod:3ir208 →Chair transition state
15:4615:46, 18 February 2011 diff hist +420 Rep:Mod:3ir208 →Boat transition state
15:4415:44, 18 February 2011 diff hist −302 Rep:Mod:3ir208 →Boat transition state
15:4315:43, 18 February 2011 diff hist 0 N File:Boattsimaginaryvib839 82.JPG No edit summary current
15:4215:42, 18 February 2011 diff hist 0 N File:BOATTSOPTINIQST2MODIFIEDANGLENUMBERS3.LOG No edit summary current
15:4015:40, 18 February 2011 diff hist −821 Rep:Mod:3ir208 →Chair transition state
15:3415:34, 18 February 2011 diff hist +1,907 Rep:Mod:3ir208 →Transition state and reactivity
15:3015:30, 18 February 2011 diff hist +310 Rep:Mod:3ir208 →Optimisation of the Chair and boat transition structures
15:3015:30, 18 February 2011 diff hist 0 N File:Step46IRC.JPG No edit summary current
15:2915:29, 18 February 2011 diff hist 0 N File:Step11IRC.JPG No edit summary current
15:2915:29, 18 February 2011 diff hist 0 N File:Step5IRC.JPG No edit summary current
15:2915:29, 18 February 2011 diff hist 0 N File:Step2IRC.JPG No edit summary current
15:2815:28, 18 February 2011 diff hist 0 N File:Step1IRC.JPG No edit summary current
15:2715:27, 18 February 2011 diff hist 0 N File:IRCirchair.JPG No edit summary current
15:1915:19, 18 February 2011 diff hist 0 N File:ChairIRCforceconst4.out No edit summary current
15:1815:18, 18 February 2011 diff hist 0 N File:CHAIRIRC6FORCECONSTANS4.LOG No edit summary current
15:1615:16, 18 February 2011 diff hist 0 N File:CHAIRTSOPTMODREDUNDANTOPTbondopt.LOG No edit summary current
15:1415:14, 18 February 2011 diff hist 0 N File:Chairoptimisedstructuremodredundant.JPG No edit summary current
15:1315:13, 18 February 2011 diff hist 0 N File:Chairoptimisedimaginaryvib818 04.JPG No edit summary current
15:1215:12, 18 February 2011 diff hist 0 N File:OPT CHAIR TS631GD.LOG No edit summary current
15:1115:11, 18 February 2011 diff hist 0 N File:-818imaginaryvibchairts.JPG No edit summary current
15:1015:10, 18 February 2011 diff hist −1 Rep:Mod:3ir208 →Thermochemical analysis
15:0915:09, 18 February 2011 diff hist +1,763 Rep:Mod:3ir208 →Thermochemical analysis
14:4614:46, 18 February 2011 diff hist +183 Rep:Mod:3ir208 →Thermochemical analysis
14:3114:31, 18 February 2011 diff hist +1 Rep:Mod:3ir208 →Thermochemical analysis
14:3014:30, 18 February 2011 diff hist +578 Rep:Mod:3ir208 →Thermochemical analysis
14:0114:01, 18 February 2011 diff hist +5,054 Rep:Mod:3ir208 →Optimisation of the Chair and boat transition structures
13:4613:46, 18 February 2011 diff hist +706 Rep:Mod:3ir208 →The Cope rearangement tutorial
13:1913:19, 18 February 2011 diff hist 0 Rep:Mod:3ir208 →Optimisation of the 1,5-hexadienereactant and product
13:1913:19, 18 February 2011 diff hist +125 Rep:Mod:3ir208 →Transition state and reactivity
13:1713:17, 18 February 2011 diff hist 0 N File:Antigauchcomparisontable.JPG No edit summary current
13:1213:12, 18 February 2011 diff hist 0 Rep:Mod:3ir208 →Optimisation of the 1,5-hexadienereactant and product
13:1113:11, 18 February 2011 diff hist +533 Rep:Mod:3ir208 →Optimisation of the 1,5-hexadienereactant and product
13:0913:09, 18 February 2011 diff hist 0 N File:Sumofthermalenergies.JPG No edit summary current
13:0813:08, 18 February 2011 diff hist 0 N File:CIANTIOPTI631DFREQUENCY.LOG No edit summary current
13:0613:06, 18 February 2011 diff hist 0 N File:IRspectrumCianti2631GdDFT.JPG No edit summary current
13:0313:03, 18 February 2011 diff hist −4 Rep:Mod:3ir208 →Optimisation of the 1,5-hexadienereactant and product

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