User contributions for Jas213
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11 February 2016
- 20:0820:08, 11 February 2016 diff hist 0 N File:IRC DA jas.log No edit summary current
- 20:0820:08, 11 February 2016 diff hist +1 Rep:Mod:Jas213TS →IRC method
- 20:0720:07, 11 February 2016 diff hist +24 Rep:Mod:Jas213TS →IRC method
- 20:0520:05, 11 February 2016 diff hist +89 Rep:Mod:Jas213TS →QST2 method
- 19:5919:59, 11 February 2016 diff hist 0 Rep:Mod:Jas213TS →Frozen Coordinate Method
- 19:5719:57, 11 February 2016 diff hist 0 N File:IRC exo jas.log No edit summary current
- 19:5519:55, 11 February 2016 diff hist −15 Rep:Mod:Jas213TS →The exo product
- 19:5319:53, 11 February 2016 diff hist −12 Rep:Mod:Jas213TS →The QST2 method
- 19:5119:51, 11 February 2016 diff hist −79 Rep:Mod:Jas213TS →The QST2 method
- 19:4919:49, 11 February 2016 diff hist +39 Rep:Mod:Jas213TS →Cis-Butadiene and Ethene Transition State
- 19:4419:44, 11 February 2016 diff hist +270 Rep:Mod:Jas213TS →Diels-Alder Cycloaddition
- 19:3619:36, 11 February 2016 diff hist +323 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
- 19:2119:21, 11 February 2016 diff hist −307 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
- 19:2019:20, 11 February 2016 diff hist +23 Rep:Mod:Jas213TS →Calculation of Activation Energies
- 19:1519:15, 11 February 2016 diff hist −1 Rep:Mod:Jas213TS →1,5-Hexadiene (Anti1 Conformation)
- 19:1319:13, 11 February 2016 diff hist +182 Rep:Mod:Jas213TS →Calculating the force constants
- 19:0919:09, 11 February 2016 diff hist −14 Rep:Mod:Jas213TS →Cis-Butadiene and Ethene Transition State
- 19:0219:02, 11 February 2016 diff hist −41 Rep:Mod:Jas213TS →IRC method
- 19:0219:02, 11 February 2016 diff hist 0 N File:GradientIRCjas2.png No edit summary current
- 19:0119:01, 11 February 2016 diff hist 0 N File:EnergyIRCjas2.png No edit summary current
- 18:5918:59, 11 February 2016 diff hist +421 Rep:Mod:Jas213TS →IRC method
- 18:5618:56, 11 February 2016 diff hist +641 Rep:Mod:Jas213TS →Diels-Alder Cycloaddition
- 18:3518:35, 11 February 2016 diff hist +2 Rep:Mod:Jas213TS →MO analysis of the endo TS
- 18:2518:25, 11 February 2016 diff hist −100 Rep:Mod:Jas213TS →QST2 method
- 18:2318:23, 11 February 2016 diff hist +55 Rep:Mod:Jas213TS →Frozen Coordinate Method
- 18:1818:18, 11 February 2016 diff hist +13 Rep:Mod:Jas213TS →Frozen Coordinate Method
- 18:1718:17, 11 February 2016 diff hist +13 Rep:Mod:Jas213TS →Calculating the force constants
- 16:0016:00, 11 February 2016 diff hist 0 N File:ChairIRCjas.log No edit summary current
- 16:0016:00, 11 February 2016 diff hist −11 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:5915:59, 11 February 2016 diff hist 0 N File:ChairIRCjas.png No edit summary current
- 15:5815:58, 11 February 2016 diff hist +37 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:3215:32, 11 February 2016 diff hist +30 Rep:Mod:Jas213TS →Calculation of Activation Energies
- 15:2415:24, 11 February 2016 diff hist +8 Rep:Mod:Jas213TS →The exo product
- 15:2115:21, 11 February 2016 diff hist +174 Rep:Mod:Jas213TS →Optimising the Reactants and Products
- 15:1915:19, 11 February 2016 diff hist +98 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:1715:17, 11 February 2016 diff hist +28 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:1615:16, 11 February 2016 diff hist +363 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:1215:12, 11 February 2016 diff hist +7 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:1015:10, 11 February 2016 diff hist +24 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:0815:08, 11 February 2016 diff hist 0 N File:GradientIRCjas.png No edit summary current
- 15:0715:07, 11 February 2016 diff hist 0 N File:EnergyIRCjas.png No edit summary current
- 15:0715:07, 11 February 2016 diff hist +5 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 15:0215:02, 11 February 2016 diff hist +144 Rep:Mod:Jas213TS →Optimising the "Chair" and "Boat" Transition Structures
- 15:0015:00, 11 February 2016 diff hist −2 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
- 14:5514:55, 11 February 2016 diff hist +19 Rep:Mod:Jas213TS →Results Table
- 14:5514:55, 11 February 2016 diff hist −542 Rep:Mod:Jas213TS →Calculation of Activation Energies
- 14:5214:52, 11 February 2016 diff hist +5 Rep:Mod:Jas213TS →QST2 method
- 14:5114:51, 11 February 2016 diff hist +12 Rep:Mod:Jas213TS →QST2 method
- 14:5014:50, 11 February 2016 diff hist −53 Rep:Mod:Jas213TS →QST2 method
- 14:5014:50, 11 February 2016 diff hist +3 Rep:Mod:Jas213TS →QST2 method