User contributions for Kr411

29 October 2013

• 13:2113:21, 29 October 2013 diff hist 0 N File:HEXENE TS FREEZE 1 OPT 4.LOG No edit summary current

28 October 2013

• 15:1415:14, 28 October 2013 diff hist +6 Rep:Mod:KRMP →Optimisations
• 14:3614:36, 28 October 2013 diff hist +139 Rep:Mod:KRMP →Optimisations
• 14:1414:14, 28 October 2013 diff hist 0 N File:Cisbut LUMO.jpg No edit summary current
• 14:1314:13, 28 October 2013 diff hist +716 Rep:Mod:KRMP →Optimisations
• 14:1214:12, 28 October 2013 diff hist 0 N File:Cisbut HOMO.jpg No edit summary current
• 13:5913:59, 28 October 2013 diff hist 0 N File:CISBUTADIENE 6-21G OPT (PLANAR).LOG No edit summary current
• 13:5313:53, 28 October 2013 diff hist +1,313 Rep:Mod:KRMP →The Diels-Alder Cycloaddition
• 13:3913:39, 28 October 2013 diff hist 0 N File:CISBUTADIENE 6-21G OPT (non-planar).mol No edit summary current
• 13:3713:37, 28 October 2013 diff hist 0 N File:CISBUTADIENE 6-21G OPT (non-planar).LOG No edit summary current
• 13:2913:29, 28 October 2013 diff hist 0 N File:CISBUTADIENE 3-21G OPT.LOG No edit summary current
• 13:2413:24, 28 October 2013 diff hist 0 N File:DA mech.jpg No edit summary current
• 13:1613:16, 28 October 2013 diff hist 0 N File:Diels-Alder reaction scheme.cdx No edit summary current

25 October 2013

• 16:0916:09, 25 October 2013 diff hist +573 Rep:Mod:KRMP →Activation Energy Calculation
• 16:0316:03, 25 October 2013 diff hist +48 Rep:Mod:KRMP →Activation Energy Calculation
• 16:0216:02, 25 October 2013 diff hist +31 Rep:Mod:KRMP →Activation Energy Calculation
• 15:5715:57, 25 October 2013 diff hist 0 Rep:Mod:KRMP →Activation Energy Calculation
• 15:5615:56, 25 October 2013 diff hist +26 Rep:Mod:KRMP →Activation Energy Calculation
• 14:4114:41, 25 October 2013 diff hist +3,050 Rep:Mod:KRMP →Activation Energy Calculation
• 14:2714:27, 25 October 2013 diff hist 0 N File:BOAT TS GUESS QTS2 OPT FREQ.LOG No edit summary current
• 14:2614:26, 25 October 2013 diff hist 0 N File:BOAT TS GUESS QTS2 OPT REOPT BLYP.LOG No edit summary current
• 14:1614:16, 25 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE2 OPT FREQ.LOG No edit summary current
• 14:1214:12, 25 October 2013 diff hist +558 Rep:Mod:KRMP →Intrinsic Reaction Coordinate (IRC) Analysis
• 14:0914:09, 25 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE2 OPT REOPT BLYP.LOG No edit summary current
• 13:5113:51, 25 October 2013 diff hist +1,990 Rep:Mod:KRMP →Intrinsic Reaction Coordinate (IRC) Analysis
• 13:5113:51, 25 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE2 OPT IRC3 (NOT TIGHT) OPT.LOG No edit summary current
• 13:3413:34, 25 October 2013 diff hist 0 N File:IRC coord energy.png No edit summary current
• 12:4612:46, 25 October 2013 diff hist 0 N File:Total IRC energy.png No edit summary current
• 12:3012:30, 25 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE2 OPT IRC3 (NOT TIGHT).LOG No edit summary current
• 11:3811:38, 25 October 2013 diff hist +57 Rep:Mod:KRMP →Intrinsic Reaction Coordinate Analysis
• 11:2311:23, 25 October 2013 diff hist 0 N File:BOAT TS GUESS QTS2 OPT.LOG No edit summary current
• 11:2311:23, 25 October 2013 diff hist +4 Rep:Mod:KRMP →Boat transition state optimisation
• 11:2211:22, 25 October 2013 diff hist −28 Rep:Mod:KRMP →Optimisation
• 11:2011:20, 25 October 2013 diff hist +51 Rep:Mod:KRMP →Optimisation
• 11:1911:19, 25 October 2013 diff hist 0 N File:Boat final.png No edit summary current

24 October 2013

• 15:5015:50, 24 October 2013 diff hist +1,082 Rep:Mod:KRMP →Optimisation
• 15:4915:49, 24 October 2013 diff hist 0 File:Boat output.jpg uploaded a new version of "File:Boat output.jpg" current
• 15:4815:48, 24 October 2013 diff hist 0 N File:Boat output.jpg No edit summary
• 15:4415:44, 24 October 2013 diff hist 0 N File:BOAT TS GUESS QTS2 OPT 2(3).LOG No edit summary current
• 15:3715:37, 24 October 2013 diff hist 0 N File:Boat input.jpg No edit summary current
• 15:3115:31, 24 October 2013 diff hist 0 N File:Failed boat.jpg No edit summary current
• 15:1915:19, 24 October 2013 diff hist +250 Rep:Mod:KRMP →Optimisation
• 15:1915:19, 24 October 2013 diff hist 0 N File:Boat product numbering.jpg No edit summary current
• 15:1615:16, 24 October 2013 diff hist 0 N File:Boat reactant numbering.jpg No edit summary current
• 15:0915:09, 24 October 2013 diff hist +592 Rep:Mod:KRMP →Optimizing the "Chair" and "Boat" Transition Structures
• 14:5514:55, 24 October 2013 diff hist +2,098 Rep:Mod:KRMP →Optimizing the "Chair" and "Boat" Transition Structures
• 14:4614:46, 24 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE2 OPT.LOG No edit summary current
• 14:4114:41, 24 October 2013 diff hist 0 N File:CHAIR TS GUESS FREEZEMODE OPT.LOG No edit summary current
• 12:2512:25, 24 October 2013 diff hist 0 N File:CHAIR TS GUESS OPT&FREQ.LOG No edit summary current
• 12:0612:06, 24 October 2013 diff hist 0 N File:Initial chair ts guess.jpg No edit summary current