User contributions for Ajw106

15 November 2008

• 15:2515:25, 15 November 2008 diff hist +1 Rep:Mod:sdfagfihpzsdmk →Comparing Energies and Geometries of the anti2 conformer at different levels of theory
• 15:2315:23, 15 November 2008 diff hist −11 Rep:Mod:sdfagfihpzsdmk →Third Year Computational Lab: Module 3

14 November 2008

• 17:1417:14, 14 November 2008 diff hist +390 Rep:Mod:sdfagfihpzsdmk →A Discussion of the Relative Energies of the Conformers
• 17:0417:04, 14 November 2008 diff hist +3 Rep:Mod:sdfagfihpzsdmk →Optimising the 'anti2' conformation
• 17:0317:03, 14 November 2008 diff hist +6 Rep:Mod:sdfagfihpzsdmk →A Discussion of the Relative Energies of the Conformers
• 17:0317:03, 14 November 2008 diff hist 0 Rep:Mod:sdfagfihpzsdmk →Optimising the 'anti2' conformation
• 17:0217:02, 14 November 2008 diff hist 0 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
• 17:0117:01, 14 November 2008 diff hist −1 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
• 16:5616:56, 14 November 2008 diff hist +423 Rep:Mod:sdfagfihpzsdmk →A Discussion of the Relative Energies of the Conformers
• 16:5116:51, 14 November 2008 diff hist +79 Rep:Mod:sdfagfihpzsdmk →Optimising The Reactants and the Products
• 16:2516:25, 14 November 2008 diff hist +153 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 16:1616:16, 14 November 2008 diff hist −34 Rep:Mod:sdfagfihpzsdmk →Secondary Orbital Overlap Effects
• 16:1216:12, 14 November 2008 diff hist +667 Rep:Mod:sdfagfihpzsdmk →Secondary Orbital Overlap Effects
• 16:0816:08, 14 November 2008 diff hist 0 N File:AJW endo HOMObare.JPG No edit summary current
• 15:5915:59, 14 November 2008 diff hist 0 N File:AJW endo HOMO.JPG No edit summary current
• 15:5515:55, 14 November 2008 diff hist +351 Rep:Mod:sdfagfihpzsdmk →Secondary Orbital Overlap Effects
• 15:4415:44, 14 November 2008 diff hist +154 Rep:Mod:sdfagfihpzsdmk →Secondary Orbital Overlap Effects
• 15:3715:37, 14 November 2008 diff hist +960 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 15:2815:28, 14 November 2008 diff hist 0 N File:AJW endo interaction.JPG No edit summary current
• 14:2614:26, 14 November 2008 diff hist +39 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 14:2414:24, 14 November 2008 diff hist +472 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 14:0814:08, 14 November 2008 diff hist +36 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 13:4713:47, 14 November 2008 diff hist +505 Rep:Mod:sdfagfihpzsdmk →Predicted Transition State Analysis
• 13:2513:25, 14 November 2008 diff hist +471 Rep:Mod:sdfagfihpzsdmk →Study the regioselectivity of the Diels Alder Reaction
• 13:1713:17, 14 November 2008 diff hist 0 N File:AJW exoTS pic.JPG No edit summary current
• 13:1513:15, 14 November 2008 diff hist 0 N File:AJW endoTS pic.JPG No edit summary current

13 November 2008

• 18:4818:48, 13 November 2008 diff hist +6 Rep:Mod:sdfagfihpzsdmk →Study the regioselectivity of the Diels Alder Reaction
• 18:4718:47, 13 November 2008 diff hist +515 Rep:Mod:sdfagfihpzsdmk →Study the regioselectivity of the Diels Alder Reaction
• 18:4618:46, 13 November 2008 diff hist 0 N File:AJW endo label.JPG No edit summary current
• 18:3518:35, 13 November 2008 diff hist +456 Rep:Mod:sdfagfihpzsdmk →Explanation of the shape of the HOMO in the transition state
• 17:1217:12, 13 November 2008 diff hist 0 N File:AJW reactionscheme1.JPG No edit summary current
• 16:4216:42, 13 November 2008 diff hist +623 Rep:Mod:sdfagfihpzsdmk →Explanation of the shape of the HOMO in the transition state
• 16:2716:27, 13 November 2008 diff hist −4 Rep:Mod:sdfagfihpzsdmk →Method 3
• 16:2716:27, 13 November 2008 diff hist +8 Rep:Mod:sdfagfihpzsdmk →Explanation of the shape of the HOMO in the transition state
• 16:2716:27, 13 November 2008 diff hist +344 Rep:Mod:sdfagfihpzsdmk →Method 3
• 16:2516:25, 13 November 2008 diff hist 0 N File:AJW transition HOMO.JPG No edit summary current
• 16:2416:24, 13 November 2008 diff hist 0 N File:AJW transition bare.JPG No edit summary current
• 16:1616:16, 13 November 2008 diff hist +1,066 Rep:Mod:sdfagfihpzsdmk →Method 2
• 16:0216:02, 13 November 2008 diff hist 0 N File:AJW method3 table.JPG No edit summary current
• 16:0216:02, 13 November 2008 diff hist 0 N File:AJW method3 picture.JPG No edit summary current
• 15:5715:57, 13 November 2008 diff hist +1,103 Rep:Mod:sdfagfihpzsdmk →method 1
• 15:5015:50, 13 November 2008 diff hist 0 N File:AJW method2 table.JPG No edit summary current
• 15:4915:49, 13 November 2008 diff hist 0 N File:AJW method2 picture.JPG No edit summary current
• 15:4215:42, 13 November 2008 diff hist +464 Rep:Mod:sdfagfihpzsdmk →method 1
• 15:1315:13, 13 November 2008 diff hist −1 Rep:Mod:sdfagfihpzsdmk →=method 1
• 15:1315:13, 13 November 2008 diff hist +39 Rep:Mod:sdfagfihpzsdmk →The transition state
• 15:0715:07, 13 November 2008 diff hist +21 Rep:Mod:sdfagfihpzsdmk →The transition state
• 15:0715:07, 13 November 2008 diff hist +786 Rep:Mod:sdfagfihpzsdmk →The transition state
• 15:0415:04, 13 November 2008 diff hist 0 N File:AJW method1 table.JPG No edit summary current
• 15:0315:03, 13 November 2008 diff hist 0 N File:AJW method1 picture.JPG No edit summary current