User contributions for Jd1711
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21 March 2014
- 12:1012:10, 21 March 2014 diff hist +91 Rep:Mod:purplevikings →Joseph Downey Year 3 Physical Computational
- 12:1012:10, 21 March 2014 diff hist 0 N File:Jd1711DIELSALDER CUSTOMGEOM METHOD1ATTEMPT1.LOG No edit summary current
- 12:0812:08, 21 March 2014 diff hist +51 Rep:Mod:purplevikings →Prototypical Transition Structure
- 12:0612:06, 21 March 2014 diff hist +24 Rep:Mod:purplevikings →Joseph Downey Year 3 Physical Computational
- 12:0512:05, 21 March 2014 diff hist +459 Rep:Mod:purplevikings →Prototypical Transition Structure
- 12:0412:04, 21 March 2014 diff hist 0 N File:Jd1711HOMO of DA TS.jpg No edit summary current
- 11:5611:56, 21 March 2014 diff hist −8 Rep:Mod:purplevikings →Prototypical Transition Structure
- 11:5411:54, 21 March 2014 diff hist +80 Rep:Mod:purplevikings →The Diels-Alder Cycloaddition
- 11:5211:52, 21 March 2014 diff hist 0 N File:Jd1711Dielsalder method1 anim.gif No edit summary current
- 11:5111:51, 21 March 2014 diff hist +1,323 Rep:Mod:purplevikings →The Diels-Alder Cycloaddition
- 11:3111:31, 21 March 2014 diff hist +44 Rep:Mod:purplevikings →MO Symmetry Calculations
- 11:3011:30, 21 March 2014 diff hist +68 Rep:Mod:purplevikings →MO Symmetry Calculations
- 11:2911:29, 21 March 2014 diff hist 0 N File:Jd1711Ethylene LUMO.jpg No edit summary
- 11:2911:29, 21 March 2014 diff hist 0 N File:Jd1711Ethylene HOMO.jpg No edit summary
- 11:2911:29, 21 March 2014 diff hist 0 N File:Jd1711Cyclobutadiene LUMO.jpg No edit summary current
- 11:2811:28, 21 March 2014 diff hist 0 N File:Jd1711Cyclobutadiene HOMO.jpg No edit summary current
- 11:1311:13, 21 March 2014 diff hist +393 Rep:Mod:purplevikings →Joseph Downey Year 3 Physical Computational
- 11:0911:09, 21 March 2014 diff hist +216 Rep:Mod:purplevikings →The Diels-Alder Cycloaddition
- 11:0011:00, 21 March 2014 diff hist +487 Rep:Mod:purplevikings →The Diels-Alder Cycloaddition
- 10:3010:30, 21 March 2014 diff hist +86 Rep:Mod:purplevikings →IRC Calculation
- 10:2810:28, 21 March 2014 diff hist −1 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2810:28, 21 March 2014 diff hist −5 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2710:27, 21 March 2014 diff hist −1 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2710:27, 21 March 2014 diff hist +1 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2710:27, 21 March 2014 diff hist 0 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2610:26, 21 March 2014 diff hist +1 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 10:2510:25, 21 March 2014 diff hist +268 Rep:Mod:purplevikings →IRC Calculation
- 10:2410:24, 21 March 2014 diff hist 0 N File:Jd1711IRC for chair.svg No edit summary current
- 10:2110:21, 21 March 2014 diff hist 0 N File:Jd1711Cope rearrangement IRC.gif No edit summary current
- 10:2010:20, 21 March 2014 diff hist +712 Rep:Mod:purplevikings →IRC Calculation
20 March 2014
- 20:5920:59, 20 March 2014 diff hist +27 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:5820:58, 20 March 2014 diff hist +1,127 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:5820:58, 20 March 2014 diff hist 0 N File:Jd1711BoatTS opt Success.jpg No edit summary current
- 20:5620:56, 20 March 2014 diff hist 0 N File:Jd1711BoatTS opt failure.jpg No edit summary current
- 20:4320:43, 20 March 2014 diff hist −77 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:4220:42, 20 March 2014 diff hist 0 N File:Full boatTS prod and react.jpg No edit summary current
- 20:3020:30, 20 March 2014 diff hist +14 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:2920:29, 20 March 2014 diff hist −25 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:2920:29, 20 March 2014 diff hist +146 Rep:Mod:purplevikings →Optimisation by QST2 Method
- 20:2620:26, 20 March 2014 diff hist 0 N File:Jd1711BoatTS opt success product.jpg No edit summary current
- 20:2620:26, 20 March 2014 diff hist 0 N File:Jd1711BoatTS opt success react.jpg No edit summary current
- 20:1720:17, 20 March 2014 diff hist +723 Rep:Mod:purplevikings →Optimisation by Frozen Co-ordinate Method
- 19:5219:52, 20 March 2014 diff hist 0 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 19:5219:52, 20 March 2014 diff hist +168 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 19:5019:50, 20 March 2014 diff hist +16 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 19:4919:49, 20 March 2014 diff hist 0 N File:Jd1711TS Opt sectbv2.mol No edit summary current
- 19:4819:48, 20 March 2014 diff hist +1 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 19:4719:47, 20 March 2014 diff hist +200 Rep:Mod:purplevikings →Optimisation to TS(berny)
- 19:4619:46, 20 March 2014 diff hist 0 N File:Jd1711 TS OPT SECTBV2.LOG No edit summary current
- 19:3319:33, 20 March 2014 diff hist +121 Rep:Mod:purplevikings No edit summary