User contributions for Mtr09
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12 December 2011
- 18:4518:45, 12 December 2011 diff hist +220 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 18:4218:42, 12 December 2011 diff hist +119 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 18:4018:40, 12 December 2011 diff hist 0 N File:TransitionStateDielsAlderDFT.mol No edit summary current
- 18:4018:40, 12 December 2011 diff hist 0 N File:TransitionStateDielsAlder.mol No edit summary current
- 18:4018:40, 12 December 2011 diff hist +386 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:3518:35, 12 December 2011 diff hist −6 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:3418:34, 12 December 2011 diff hist +444 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:1818:18, 12 December 2011 diff hist +193 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition Reactants: Ethylene and Butadiene
- 18:1218:12, 12 December 2011 diff hist +280 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:1118:11, 12 December 2011 diff hist +376 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:1018:10, 12 December 2011 diff hist 0 N File:TSDielsAlderImaginaryVibrationDFT.gif No edit summary current
- 18:1018:10, 12 December 2011 diff hist 0 N File:TSDielsAlderImaginaryVibration.gif No edit summary current
- 18:0718:07, 12 December 2011 diff hist +440 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:0618:06, 12 December 2011 diff hist 0 N File:LowestNormalFrequencyDFT.gif No edit summary current
- 18:0618:06, 12 December 2011 diff hist 0 N File:IRSpectrumTS.png No edit summary current
- 18:0618:06, 12 December 2011 diff hist 0 N File:IRSpectrumTSDFT.png No edit summary current
- 18:0218:02, 12 December 2011 diff hist +1 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene Transition State
- 18:0118:01, 12 December 2011 diff hist +759 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 17:5717:57, 12 December 2011 diff hist 0 N File:DielsAlderLUMODFT.png No edit summary current
- 17:5717:57, 12 December 2011 diff hist 0 File:DielsAlderLUMO.png uploaded a new version of "File:DielsAlderLUMO.png" current
- 17:5717:57, 12 December 2011 diff hist 0 N File:DielsAlderHOMODFT.png No edit summary current
- 17:5717:57, 12 December 2011 diff hist 0 N File:DielsAlderHOMO.png No edit summary current
- 17:5717:57, 12 December 2011 diff hist 0 N File:DielsAlderElevelsDFT.png No edit summary current
- 17:5717:57, 12 December 2011 diff hist 0 N File:DielsAlderElevels.png No edit summary current
- 17:5517:55, 12 December 2011 diff hist +182 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 17:5317:53, 12 December 2011 diff hist 0 N File:EtheneElevels.png No edit summary current
- 17:5317:53, 12 December 2011 diff hist 0 N File:CisButadieneElevels.png No edit summary current
- 17:5217:52, 12 December 2011 diff hist 0 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition Reactants: Ethylene and Butadiene
- 17:5217:52, 12 December 2011 diff hist +311 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 17:4917:49, 12 December 2011 diff hist 0 File:EtheneLUMO.png uploaded a new version of "File:EtheneLUMO.png"
- 17:4917:49, 12 December 2011 diff hist 0 File:EtheneHOMO.png uploaded a new version of "File:EtheneHOMO.png"
- 17:4917:49, 12 December 2011 diff hist 0 N File:CisButadieneLUMO.png No edit summary current
- 17:4917:49, 12 December 2011 diff hist 0 N File:CisButadieneHOMO.png No edit summary current
- 17:4717:47, 12 December 2011 diff hist −1 Rep:Mod:mtr09mod3 →Investigation into the Cycloaddition of Ethylene and Butadiene: Optimisation
- 17:4617:46, 12 December 2011 diff hist +121 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 17:4617:46, 12 December 2011 diff hist 0 N File:Plane of Symmetry.png No edit summary current
- 17:4217:42, 12 December 2011 diff hist +261 Rep:Mod:mtr09mod3 →3rd Year Computational Chemistry Project - Matthew Reynolds
- 17:4117:41, 12 December 2011 diff hist 0 N File:DielsAlderMechanism.png No edit summary current
- 17:4117:41, 12 December 2011 diff hist 0 N File:Ethenemol.mol No edit summary current
- 17:4117:41, 12 December 2011 diff hist 0 N File:Butadienemol.mol No edit summary current
- 17:0317:03, 12 December 2011 diff hist −99 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 16:5916:59, 12 December 2011 diff hist +272 Rep:Mod:mtr09mod3 →Diels Alder Cycloaddition Investigation
- 13:2413:24, 12 December 2011 diff hist +47 Rep:Mod:mtr09mod3 →Thermochemical Analysis of 1,5 Hexadiene Conformations
- 13:2413:24, 12 December 2011 diff hist +256 Rep:Mod:mtr09mod3 →Thermochemical Analysis of 1,5 Hexadiene Conformations
- 13:2313:23, 12 December 2011 diff hist +299 Rep:Mod:mtr09mod3 →Thermochemical Analysis of 1,5 Hexadiene Conformations
- 13:1413:14, 12 December 2011 diff hist +302 Rep:Mod:mtr09mod3 →Thermochemical Analysis of 1,5 Hexadiene Conformations
- 12:2912:29, 12 December 2011 diff hist +94 Rep:Mod:mtr09mod3 →Further Optimisation using Intrinsic Reaction Coordinate Methods (under HF/3-21G) [Chair and Boat]
- 12:2712:27, 12 December 2011 diff hist +144 Rep:Mod:mtr09mod3 →Further Optimisation using Intrinsic Reaction Coordinate Methods (under HF/3-21G) [Chair and Boat]
- 12:2312:23, 12 December 2011 diff hist +198 Rep:Mod:mtr09mod3 →Activation Energy of the Chair and Boat Transition states
- 12:2012:20, 12 December 2011 diff hist +61 Rep:Mod:mtr09mod3 →Optimisation and Frequency Analysis of the Chair and Boat Transition Structures