User contributions for Eg1511

21 March 2014

• 15:3815:38, 21 March 2014 diff hist −127 Rep:Mod:EG92 →Calculation with a higher basis set
• 14:1914:19, 21 March 2014 diff hist −25 Rep:Mod:EG92 →Calculation with a higher basis set
• 14:1914:19, 21 March 2014 diff hist +1,343 Rep:Mod:EG92 →Calculation with a higher basis set
• 14:0314:03, 21 March 2014 diff hist 0 N File:Exo TS animation EG.gif No edit summary current
• 13:3913:39, 21 March 2014 diff hist +89 Rep:Mod:EG92 →Calculation with a higher basis set
• 13:3813:38, 21 March 2014 diff hist −43 Rep:Mod:EG92 →IRC
• 13:3413:34, 21 March 2014 diff hist −1 Rep:Mod:EG92 →Optimizing the Reactants and Products
• 13:2913:29, 21 March 2014 diff hist −907 Rep:Mod:EG92 →Optimizing the Reactants and Products
• 13:1813:18, 21 March 2014 diff hist +1,150 Rep:Mod:EG92 →IRC
• 12:0212:02, 21 March 2014 diff hist +1,799 Rep:Mod:EG92 →Reaction with cyclohexa-1,3-diene and maleic anhydride
• 11:1111:11, 21 March 2014 diff hist 0 N File:Exo HOMO EG nodal plane.PNG No edit summary current

20 March 2014

• 18:4318:43, 20 March 2014 diff hist +845 Rep:Mod:EG92 →Reaction with cyclohexa-1,3-diene and maleic anhydride
• 18:2118:21, 20 March 2014 diff hist 0 N File:Endo product labelled EG.PNG No edit summary current
• 18:1918:19, 20 March 2014 diff hist 0 N File:Endo reactants labelled EG.PNG No edit summary current
• 18:1318:13, 20 March 2014 diff hist 0 Rep:Mod:EG92 →Calculation with a higher basis set
• 16:1016:10, 20 March 2014 diff hist +704 Rep:Mod:EG92 →Reaction with cyclohexa-1,3-diene and maleic anhydride
• 16:0816:08, 20 March 2014 diff hist 0 N File:Exo product labelled EG.PNG No edit summary current
• 16:0816:08, 20 March 2014 diff hist 0 N File:Exo reactants labelled EG.PNG No edit summary current
• 15:5015:50, 20 March 2014 diff hist −86 Rep:Mod:EG92 →Optimizing the "Chair" and "Boat" Transition Structures
• 15:4915:49, 20 March 2014 diff hist +14 Rep:Mod:EG92 →Optimizing the Reactants and Products
• 15:4715:47, 20 March 2014 diff hist +32 Rep:Mod:EG92 →The Diels Alder Cycloaddition
• 15:3915:39, 20 March 2014 diff hist +428 Rep:Mod:EG92 →Transition state
• 15:0815:08, 20 March 2014 diff hist +906 Rep:Mod:EG92 →Transition state
• 14:4414:44, 20 March 2014 diff hist +595 Rep:Mod:EG92 →The Diels Alder Cycloaddition
• 14:3114:31, 20 March 2014 diff hist +420 Rep:Mod:EG92 →Optimizing the Reactants and Products

19 March 2014

• 15:4715:47, 19 March 2014 diff hist +49 Rep:Mod:EG92 →IRC
• 15:4615:46, 19 March 2014 diff hist −569 Rep:Mod:EG92 →IRC
• 15:4515:45, 19 March 2014 diff hist 0 N File:IRC boat RMS EG.PNG No edit summary current
• 15:4315:43, 19 March 2014 diff hist 0 N File:IRC boat total energy EG.PNG No edit summary current
• 15:4315:43, 19 March 2014 diff hist 0 File:IRC total energy EG.PNG uploaded a new version of "File:IRC total energy EG.PNG" current
• 15:3615:36, 19 March 2014 diff hist 0 N File:Boat TS IRC animation EG.gif No edit summary current
• 15:3315:33, 19 March 2014 diff hist 0 N File:IRC boat EG.PNG No edit summary current
• 15:1615:16, 19 March 2014 diff hist 0 N File:Chair TS IRC animation EG.gif No edit summary current
• 15:1015:10, 19 March 2014 diff hist +132 Rep:Mod:EG92 →IRC
• 15:1015:10, 19 March 2014 diff hist 0 File:IRC EG.PNG uploaded a new version of "File:IRC EG.PNG" current
• 15:0415:04, 19 March 2014 diff hist 0 N File:IRC RMS EG.PNG No edit summary current
• 15:0415:04, 19 March 2014 diff hist 0 N File:IRC total energy EG.PNG No edit summary
• 14:5614:56, 19 March 2014 diff hist +1,030 Rep:Mod:EG92 →Optimisation of the boat transition state - QST2
• 14:3814:38, 19 March 2014 diff hist 0 N File:Boat TS animation EG.gif No edit summary current
• 14:2914:29, 19 March 2014 diff hist 0 N File:Boat product labelled EG.PNG No edit summary current
• 14:2814:28, 19 March 2014 diff hist 0 N File:Boat reactant labelled EG.PNG No edit summary current

18 March 2014

• 16:3716:37, 18 March 2014 diff hist +1,920 Rep:Mod:EG92 →Optimisation of the boat transition state - QST2
• 16:2516:25, 18 March 2014 diff hist 0 N File:Chair QTS2 reactants and products labelled EG.PNG No edit summary current
• 16:2116:21, 18 March 2014 diff hist −12 Rep:Mod:EG92 →Method 2 - Frozen coordinate method
• 16:1516:15, 18 March 2014 diff hist +256 Rep:Mod:EG92 →Method 2 - Frozen coordinate method
• 16:1016:10, 18 March 2014 diff hist +112 Rep:Mod:EG92 →Method 2 - Frozen coordinate method
• 15:4215:42, 18 March 2014 diff hist −99 Rep:Mod:EG92 →Frozen coordinate method
• 15:3815:38, 18 March 2014 diff hist +11 Rep:Mod:EG92 →Hartree Fock/3-21G
• 15:3615:36, 18 March 2014 diff hist −250 Rep:Mod:EG92 →Frozen coordinate method
• 15:3115:31, 18 March 2014 diff hist 0 N File:Chair TS 1 d EG labelled.PNG No edit summary current