User contributions for Jl8913
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11 March 2016
- 05:1205:12, 11 March 2016 diff hist +11 Rep:Mod:jl8913TS →Optimisation of ethene and butadiene Diels Alder transition structure via AM1
- 05:0305:03, 11 March 2016 diff hist −5 Rep:Mod:jl8913TS →Optimisation of ethene and butadiene Diels Alder transition structure via AM1
- 05:0005:00, 11 March 2016 diff hist +3,188 Rep:Mod:jl8913TS No edit summary
- 05:0005:00, 11 March 2016 diff hist +44 N File:JLcyclohexeneTSIRC.png Jason Li Transition State cyclohexene TS IRC current
- 04:5904:59, 11 March 2016 diff hist +53 N File:JLcyclohexeneTSIRC.LOG Jason Li Transition State cyclohexene TS IRC log file current
- 04:3204:32, 11 March 2016 diff hist +34 N File:JLcyclohexeneTSlabel.png Jason Li Transition State TS label current
- 03:5103:51, 11 March 2016 diff hist +82 Rep:Mod:jl8913TS No edit summary
- 03:4003:40, 11 March 2016 diff hist +53 Rep:Mod:jl8913TS No edit summary
- 03:0603:06, 11 March 2016 diff hist +1,508 Rep:Mod:jl8913TS No edit summary
- 02:5002:50, 11 March 2016 diff hist +1 Rep:Mod:jl8913TS No edit summary
- 02:4902:49, 11 March 2016 diff hist +1,469 Rep:Mod:jl8913TS No edit summary
- 02:0702:07, 11 March 2016 diff hist −12 Rep:Mod:jl8913TS No edit summary
- 02:0702:07, 11 March 2016 diff hist +45 N File:JLcyclohexeneTSLUMO.png Jason Li Transition State cyclohexene TS LUMO current
- 02:0602:06, 11 March 2016 diff hist +45 N File:JLcyclohexeneTSHOMO.png Jason Li Transition State cyclohexene TS HOMO current
- 02:0502:05, 11 March 2016 diff hist +49 N File:JLcyclohexeneTS.LOG Jason Li Transition State cyclohexene TS Log file current
- 02:0302:03, 11 March 2016 diff hist +41 N File:JLethene.LOG Jason Li Transition State ethene log file current
- 02:0002:00, 11 March 2016 diff hist −1 Rep:Mod:jl8913TS No edit summary
- 01:5801:58, 11 March 2016 diff hist +37 Rep:Mod:jl8913TS No edit summary
- 01:5401:54, 11 March 2016 diff hist +52 N File:JLcyclohexadieneTS.LOG Jason Li Transition State cyclohexadiene TS log file current
- 01:5201:52, 11 March 2016 diff hist +46 N File:JLcyclohexadieneTSLUMO.png Jason Li Transition State cycloehexadiene LUMO current
- 01:5101:51, 11 March 2016 diff hist +48 N File:JLcyclohexadieneTSHOMO.png Jason Li Transition State cyclohexadiene TS HOMO current
- 01:4201:42, 11 March 2016 diff hist +9 Rep:Mod:jl8913TS No edit summary
- 01:4001:40, 11 March 2016 diff hist +3,052 Rep:Mod:jl8913TS No edit summary
- 01:2501:25, 11 March 2016 diff hist +37 N File:JLetheneLUMO.png Jason Li Transition State Ethene LUMO current
- 01:2401:24, 11 March 2016 diff hist +37 N File:JLetheneHOMO.png Jason Li Transition State Ethene HOMO current
- 01:0301:03, 11 March 2016 diff hist +41 N File:JLbutadieneLUMO2.png Jason Li Transition State Butadiene LUMO2 current
- 01:0301:03, 11 March 2016 diff hist +46 N File:JLbutadieneHOMO2.png Jason Li Transition Structure Butadiene HOMO 2 current
- 01:0001:00, 11 March 2016 diff hist 0 File:JLbutadieneHOMO.png Jl8913 uploaded a new version of File:JLbutadieneHOMO.png current
- 01:0001:00, 11 March 2016 diff hist 0 File:JLbutadieneLUMO.png Jl8913 uploaded a new version of File:JLbutadieneLUMO.png current
- 00:4600:46, 11 March 2016 diff hist +40 N File:JLbutadieneLUMO.png Jason Li Transition State Butadiene LUMO
- 00:4600:46, 11 March 2016 diff hist +40 N File:JLbutadieneHOMO.png Jason Li Transition State Butadiene HOMO
- 00:3400:34, 11 March 2016 diff hist +1,523 Rep:Mod:jl8913TS No edit summary
- 00:3200:32, 11 March 2016 diff hist +48 N File:JLbutadiene.LOG Jason Li Transition State Butadiene AM1 log file current
10 March 2016
- 23:4423:44, 10 March 2016 diff hist +398 Rep:Mod:jl8913TS →Diels Alder Cycloaddition
- 23:1823:18, 10 March 2016 diff hist +7 Rep:Mod:jl8913TS →Optimisation of 1,5-hexadiene boat Transition State via use of QST2 method at HF/3-21G theory, start end method
- 23:1823:18, 10 March 2016 diff hist −7 Rep:Mod:jl8913TS →Optimisation of 1,5-hexadiene boat Transition State via use of QST2 method at HF/3-21G theory, start end method
- 23:1423:14, 10 March 2016 diff hist +817 Rep:Mod:jl8913TS No edit summary
- 22:2722:27, 10 March 2016 diff hist +786 Rep:Mod:jl8913TS →Thermodynamic Results of Transition State Structure Optimisation
- 21:5021:50, 10 March 2016 diff hist +3 Rep:Mod:jl8913TS →Thermodynamic Results of Transition State Structure Optimisation
- 21:5021:50, 10 March 2016 diff hist +25 Rep:Mod:jl8913TS →Thermodynamic Results of Transition State Structure Optimisation
- 21:4821:48, 10 March 2016 diff hist +702 Rep:Mod:jl8913TS No edit summary
- 21:2421:24, 10 March 2016 diff hist +1,303 Rep:Mod:jl8913TS No edit summary
- 18:1918:19, 10 March 2016 diff hist +2,561 Rep:Mod:jl8913TS No edit summary
- 18:0918:09, 10 March 2016 diff hist 0 File:JLchairfrozenB3LYP.LOG Jl8913 uploaded a new version of File:JLchairfrozenB3LYP.LOG current
- 18:0818:08, 10 March 2016 diff hist 0 File:JLboat2B3LYP.LOG Jl8913 uploaded a new version of File:JLboat2B3LYP.LOG current
- 18:0818:08, 10 March 2016 diff hist +48 N File:JLboat2B3LYP.mol Jason Li Transition State B3LYP TS Boat mol file current
- 18:0818:08, 10 March 2016 diff hist +49 N File:JLchairfrozenB3LYP.mol Jason Li Transition State B3LYP TS Chair mol file current
- 18:0218:02, 10 March 2016 diff hist +44 N File:JLchair2IRC.LOG Jason Li Transition State chair IRC log file current
- 18:0218:02, 10 March 2016 diff hist +43 N File:JLboat2IRC.LOG Jason Li Transition State boat IRC log file current
- 17:5517:55, 10 March 2016 diff hist 0 File:JLIRCboat.png Jl8913 uploaded a new version of File:JLIRCboat.png current