User contributions for Emj09
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20 March 2012
- 13:0513:05, 20 March 2012 diff hist +1,636 Rep:Mod:EllynIII No edit summary
- 12:5812:58, 20 March 2012 diff hist 0 N File:E HOMO AM1.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:E LUMO AM1.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:E LUMO DFT.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:E HOMO DFT.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:B HOMO AM1.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:B LUMO AM1.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:B LUMO DFT.png No edit summary current
- 12:5812:58, 20 March 2012 diff hist 0 N File:B HOMO DFT.png No edit summary current
- 12:1812:18, 20 March 2012 diff hist +90 Rep:Mod:EllynIII No edit summary
- 10:5510:55, 20 March 2012 diff hist +32 Rep:Mod:EllynIII No edit summary
- 10:4410:44, 20 March 2012 diff hist +2,817 Rep:Mod:EllynIII No edit summary
- 10:3710:37, 20 March 2012 diff hist 0 N File:Boat IRC2 RMS.png No edit summary current
- 10:3710:37, 20 March 2012 diff hist 0 N File:Boat IRC2 energy.png No edit summary current
- 09:5609:56, 20 March 2012 diff hist 0 File:Chair IRC2 RMS.png uploaded a new version of "File:Chair IRC2 RMS.png" current
- 09:5609:56, 20 March 2012 diff hist 0 File:Chair IRC2 energy.png uploaded a new version of "File:Chair IRC2 energy.png" current
- 09:3409:34, 20 March 2012 diff hist 0 N File:Chair IRC2 last opt.png No edit summary current
19 March 2012
- 11:3111:31, 19 March 2012 diff hist +103 Rep:Mod:EllynIII No edit summary
- 11:1811:18, 19 March 2012 diff hist +275 Rep:Mod:EllynIII No edit summary
- 11:1811:18, 19 March 2012 diff hist 0 File:Chair IRC2.gif uploaded a new version of "File:Chair IRC2.gif" current
- 11:1311:13, 19 March 2012 diff hist 0 N File:Chair IRC1.gif No edit summary current
- 11:1111:11, 19 March 2012 diff hist +1,331 Rep:Mod:EllynIII No edit summary
- 11:1011:10, 19 March 2012 diff hist 0 N File:Chair IRC2 energy.png No edit summary
- 11:1011:10, 19 March 2012 diff hist 0 N File:Chair IRC2 RMS.png No edit summary
- 10:5610:56, 19 March 2012 diff hist 0 N File:Boat IRC1 energy.png No edit summary current
- 10:5610:56, 19 March 2012 diff hist 0 N File:Boat IRC1 RMS.png No edit summary current
- 10:5110:51, 19 March 2012 diff hist +2,332 Rep:Mod:EllynIII No edit summary
- 10:3610:36, 19 March 2012 diff hist 0 N File:Chair TS lastIRC opt.png No edit summary current
- 10:2210:22, 19 March 2012 diff hist 0 N File:Chair IRC1 RMS.png No edit summary current
- 10:2210:22, 19 March 2012 diff hist 0 N File:Chair IRC1 energy.png No edit summary current
- 09:4809:48, 19 March 2012 diff hist 0 N File:TS boat opt.mol No edit summary current
- 09:4509:45, 19 March 2012 diff hist 0 N File:TS boat opt.png No edit summary current
- 09:3809:38, 19 March 2012 diff hist +692 Rep:Mod:EllynIII No edit summary
- 09:3709:37, 19 March 2012 diff hist 0 N File:TS boat optFREQ.out No edit summary current
- 09:3209:32, 19 March 2012 diff hist +1,246 Rep:Mod:EllynIII →Optimising the Boat
16 March 2012
- 16:2916:29, 16 March 2012 diff hist 0 Rep:Mod:EllynIII →Freezing Reaction Coordinates
- 16:2816:28, 16 March 2012 diff hist 0 N File:TS chair opt2b.fchk No edit summary current
- 16:2516:25, 16 March 2012 diff hist −83 Rep:Mod:EllynIII →Freezing Reaction Coordinates
- 16:2516:25, 16 March 2012 diff hist 0 File:TS chair opt2b.out uploaded a new version of "File:TS chair opt2b.out" current
- 16:1516:15, 16 March 2012 diff hist +80 Rep:Mod:EllynIII →Optimisation of Transition State
- 16:1016:10, 16 March 2012 diff hist +2,017 Rep:Mod:EllynIII →Module 3 - Characterisation of Cycloaddition Transition States
- 16:1016:10, 16 March 2012 diff hist 0 N File:TS chair opt2b.out No edit summary
- 15:3815:38, 16 March 2012 diff hist 0 N File:TS chair opt2.out No edit summary current
- 15:2415:24, 16 March 2012 diff hist +1,152 Rep:Mod:EllynIII →Module 3 - Characterisation of Cycloaddition Transition States
- 15:2415:24, 16 March 2012 diff hist 0 N File:TS chair opt1 vib.gif No edit summary current
- 14:2914:29, 16 March 2012 diff hist +941 Rep:Mod:EllynIII →Cope Rearrangement of 1,5-Hexadiene
- 13:2113:21, 16 March 2012 diff hist −693 Rep:Mod:EllynIII →Frequency Calculations
- 13:0813:08, 16 March 2012 diff hist 0 File:HD anti1 spectrum.png uploaded a new version of "File:HD anti1 spectrum.png" current
- 12:4712:47, 16 March 2012 diff hist +33 Rep:Mod:EllynIII →Optimisation of 1,5-Hexadiene Ground State
- 12:4612:46, 16 March 2012 diff hist +3,395 Rep:Mod:EllynIII →Module 3 - Characterisation of Cycloaddition Transition States