User contributions for Jdp07
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14 December 2009
- 14:0914:09, 14 December 2009 diff hist +554 Rep:Mod:Ginger3 →Cis Butadiene
- 13:4713:47, 14 December 2009 diff hist +94 Rep:Mod:Ginger3 →Cis Butadiene
- 13:4613:46, 14 December 2009 diff hist 0 N File:ButadieneAM1Optimisation.chk No edit summary current
- 13:4513:45, 14 December 2009 diff hist 0 N File:Butadiene321GOptimisation.LOG No edit summary current
- 13:4513:45, 14 December 2009 diff hist 0 Rep:Mod:Ginger3 →Cis Butadiene
- 13:4213:42, 14 December 2009 diff hist 0 N File:GingerNinjaCisBUtadieneLUMO.jpg No edit summary current
- 13:4213:42, 14 December 2009 diff hist 0 N File:GingerNinjaCisButadieneHOMO.jpg No edit summary current
- 13:3113:31, 14 December 2009 diff hist 0 N File:GingerNinjacisbutadieneoptimised.jpg No edit summary current
- 13:3113:31, 14 December 2009 diff hist +75 Rep:Mod:Ginger3 →Cis Butadiene
- 13:3013:30, 14 December 2009 diff hist 0 N File:CisButadieneAM1.chk No edit summary current
- 13:2913:29, 14 December 2009 diff hist +722 Rep:Mod:Ginger3 →Cis Butadiene
- 13:2913:29, 14 December 2009 diff hist 0 N File:GingerButadiene.mol No edit summary current
- 13:1613:16, 14 December 2009 diff hist +19 Rep:Mod:Ginger3 →The Diels Alder Cycloaddition
- 13:1413:14, 14 December 2009 diff hist 0 Rep:Mod:Ginger3 →The Diels Alder Cycloaddition
- 13:1313:13, 14 December 2009 diff hist 0 N File:GingerNinjaregioselectivityofdielsalderreaction.jpg No edit summary current
- 13:1313:13, 14 December 2009 diff hist 0 N File:GingerNinjadielsaldercycloaddition.jpg No edit summary current
- 13:1313:13, 14 December 2009 diff hist +588 Rep:Mod:Ginger3 →The Diels Alder Cycloaddition
- 12:4512:45, 14 December 2009 diff hist −14 Rep:Mod:Ginger3 →Conclusion
13 December 2009
- 15:5715:57, 13 December 2009 diff hist +328 Rep:Mod:Ginger3 →Optimising the "Boat" Transition Structure
- 15:5715:57, 13 December 2009 diff hist 0 N File:BoatTS Successful.LOG No edit summary current
- 15:5015:50, 13 December 2009 diff hist 0 N File:BoatTSFailure.LOG No edit summary current
- 15:4915:49, 13 December 2009 diff hist +326 Rep:Mod:Ginger3 →Optimising the "Chair" Transition Structure
- 15:4815:48, 13 December 2009 diff hist 0 N File:ChairTSBondUnfrozenDerivative.LOG No edit summary current
- 15:4715:47, 13 December 2009 diff hist 0 N File:ChairTSBondFrozen.LOG No edit summary current
- 15:4615:46, 13 December 2009 diff hist 0 N File:ChairTSForceConstantsMethod.LOG No edit summary current
- 15:4415:44, 13 December 2009 diff hist +405 Rep:Mod:Ginger3 →Optimising the Reactants and Products
- 15:4415:44, 13 December 2009 diff hist 0 N File:CopeAnti2HigherOptimisation.LOG No edit summary current
- 15:4215:42, 13 December 2009 diff hist 0 N File:CopeLowestEnergyConformer.LOG No edit summary current
- 15:4215:42, 13 December 2009 diff hist 0 N File:CopeGaucheConformer.LOG No edit summary current
- 15:4015:40, 13 December 2009 diff hist 0 N File:CopeAntiConformer.LOG No edit summary current
- 14:5814:58, 13 December 2009 diff hist 0 N File:Gingerboathigh.jpg No edit summary current
- 14:5714:57, 13 December 2009 diff hist 0 N File:Gingerboatlow.jpg No edit summary current
- 14:5714:57, 13 December 2009 diff hist 0 N File:GingerChairhigh.jpg No edit summary current
- 14:5714:57, 13 December 2009 diff hist 0 N File:Gingechairlow.jpg No edit summary current
- 14:5714:57, 13 December 2009 diff hist +1,050 Rep:Mod:Ginger3 →Comparison of Optimisation Levels
- 14:5614:56, 13 December 2009 diff hist 0 N File:Gingerboathigh.mol No edit summary current
- 14:5514:55, 13 December 2009 diff hist 0 N File:Gingerboatlow.mol No edit summary current
- 14:5514:55, 13 December 2009 diff hist 0 N File:Gingerchairhigh.mol No edit summary current
- 14:5514:55, 13 December 2009 diff hist 0 N File:Gingerchairlow.mol No edit summary current
- 14:5014:50, 13 December 2009 diff hist 0 Rep:Mod:Ginger3 →Intrinsic Reaction Coordinate (IRC)
- 14:4414:44, 13 December 2009 diff hist +310 Rep:Mod:Ginger3 →Comparison of Optimisation Levels
- 14:4314:43, 13 December 2009 diff hist 0 N File:BoatTS B3LYP6-31Gd.LOG No edit summary current
- 14:4314:43, 13 December 2009 diff hist 0 N File:BoatTS HF3-21G.LOG No edit summary current
- 14:4214:42, 13 December 2009 diff hist 0 N File:ChairTS B3LYP6-31Gd.out No edit summary current
- 14:4114:41, 13 December 2009 diff hist 0 N File:ChairTS HF3-21G.LOG No edit summary current
- 14:3414:34, 13 December 2009 diff hist 0 N File:Gingerircgraph150fcalways.jpg No edit summary current
- 14:3414:34, 13 December 2009 diff hist 0 N File:GingerIRCMoleuleafter150fcalways.jpg No edit summary current
- 14:3314:33, 13 December 2009 diff hist +1,371 Rep:Mod:Ginger3 →Intrinsic Reaction Coordinate (IRC)
- 14:3014:30, 13 December 2009 diff hist 0 N File:Ginger150stepircfcalways.mol No edit summary current
- 14:2014:20, 13 December 2009 diff hist 0 N File:Chair IRC150Steps ForceConstantsCalulatedAlways.out No edit summary current