User contributions for Lkb110
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5 February 2013
- 17:0017:00, 5 February 2013 diff hist +30 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:2416:24, 5 February 2013 diff hist +125 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:2216:22, 5 February 2013 diff hist +96 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:2216:22, 5 February 2013 diff hist 0 N File:HOMO LUMO chem draw cis but.png No edit summary current
- 16:0816:08, 5 February 2013 diff hist +393 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:0716:07, 5 February 2013 diff hist −8 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:0516:05, 5 February 2013 diff hist +498 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:0516:05, 5 February 2013 diff hist +90 Rep:Mod:lkb110mod3 →Cis Butadiene
- 16:0316:03, 5 February 2013 diff hist 0 N File:HOMO LUMO MOS CIS BUT.png No edit summary current
- 15:5515:55, 5 February 2013 diff hist +259 Rep:Mod:lkb110mod3 →Cis Butadiene
- 15:5415:54, 5 February 2013 diff hist 0 N File:CISBUTADIENE OPT HF 321G.LOG No edit summary current
- 15:1015:10, 5 February 2013 diff hist +79 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 15:1015:10, 5 February 2013 diff hist 0 N File:631G boat pic.png No edit summary current
- 15:0615:06, 5 February 2013 diff hist −6 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 15:0215:02, 5 February 2013 diff hist −6 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 15:0215:02, 5 February 2013 diff hist 0 N File:BOAT TS OPT 631G.LOG No edit summary
- 15:0015:00, 5 February 2013 diff hist +82 Rep:Mod:lkb110mod3 →Optimisation of "Chair" Transition State using the DFT/B3LYP/6-31G* method
- 15:0015:00, 5 February 2013 diff hist −80 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 14:5914:59, 5 February 2013 diff hist +395 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 14:5814:58, 5 February 2013 diff hist +1,049 Rep:Mod:lkb110mod3 →Optimisation of "Boat" Transition State using the DFT/B3LYP/6-31G* method
- 14:5714:57, 5 February 2013 diff hist 0 N File:631G chair ts.png No edit summary current
- 14:5314:53, 5 February 2013 diff hist +81 Rep:Mod:lkb110mod3 →Activation Energy of the "boat" transition state
- 14:5214:52, 5 February 2013 diff hist +501 Rep:Mod:lkb110mod3 →Optimisation of "Chair" Transition State using the DFT/B3LYP/6-31G* method
- 14:4414:44, 5 February 2013 diff hist −6 Rep:Mod:lkb110mod3 →Optimisation of "Chair" Transition State using the DFT/B3LYP/6-31G* method
- 14:4414:44, 5 February 2013 diff hist +860 Rep:Mod:lkb110mod3 →Optimisation of "Chair" Transition State using the DFT/B3LYP/6-31G* method
- 14:4314:43, 5 February 2013 diff hist 0 N File:CHAIR TS OPT FREQ 631G.LOG No edit summary current
- 14:3214:32, 5 February 2013 diff hist +82 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:1214:12, 5 February 2013 diff hist +57 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:0514:05, 5 February 2013 diff hist +538 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:0214:02, 5 February 2013 diff hist +260 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:0114:01, 5 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:0114:01, 5 February 2013 diff hist +4 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 14:0114:01, 5 February 2013 diff hist 0 N File:Boat minimise pic.png No edit summary current
- 13:5913:59, 5 February 2013 diff hist +1,045 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:5613:56, 5 February 2013 diff hist +16 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:5613:56, 5 February 2013 diff hist 0 N File:BOAT IRC.LOG No edit summary
- 13:5513:55, 5 February 2013 diff hist 0 N File:IRC pathway graph.svg No edit summary current
- 13:5513:55, 5 February 2013 diff hist 0 N File:Boat IRC pic.png No edit summary current
- 13:5413:54, 5 February 2013 diff hist +645 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:4713:47, 5 February 2013 diff hist +416 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:4713:47, 5 February 2013 diff hist +115 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:4613:46, 5 February 2013 diff hist +145 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:4413:44, 5 February 2013 diff hist +393 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:3013:30, 5 February 2013 diff hist +38 Rep:Mod:lkb110mod3 →Optimisation of the "Boat" Transition State
- 13:3013:30, 5 February 2013 diff hist −1 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:3013:30, 5 February 2013 diff hist 0 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:2913:29, 5 February 2013 diff hist +261 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:2713:27, 5 February 2013 diff hist +70 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate
- 13:2613:26, 5 February 2013 diff hist 0 N File:Minimised pic.png No edit summary current
- 13:1913:19, 5 February 2013 diff hist +485 Rep:Mod:lkb110mod3 →Intrinsic Reaction Coordinate