User contributions for Cp308

12 November 2010

• 17:4417:44, 12 November 2010 diff hist +478 Rep:Mod:x590mug →Transition State
• 17:3117:31, 12 November 2010 diff hist +547 Rep:Mod:x590mug →Transition State
• 17:2417:24, 12 November 2010 diff hist +38 Rep:Mod:x590mug →Transition State
• 17:0817:08, 12 November 2010 diff hist +171 Rep:Mod:x590mug →Transition State
• 17:0217:02, 12 November 2010 diff hist 0 N File:PARTC II LUMOHOMO.PNG No edit summary current
• 16:5916:59, 12 November 2010 diff hist +33 Rep:Mod:x590mug →Transition State
• 16:4916:49, 12 November 2010 diff hist +503 Rep:Mod:x590mug →Module 3
• 16:4516:45, 12 November 2010 diff hist +800 Rep:Mod:x590mug →Transition State
• 16:2916:29, 12 November 2010 diff hist −58 Rep:Mod:x590mug →Boat TS
• 16:2816:28, 12 November 2010 diff hist +25 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 16:2616:26, 12 November 2010 diff hist 0 N File:Antipp optimisedDFT freq 3137.23 intensity 55.8.gif No edit summary current
• 16:2616:26, 12 November 2010 diff hist 0 N File:Antipp optimisedDFT freq 3031.09 intensity 53.5.gif No edit summary current
• 16:2616:26, 12 November 2010 diff hist 0 N File:Antipp optimisedDFT freq 940.4 intensity 71.gif No edit summary current
• 16:2316:23, 12 November 2010 diff hist +223 Rep:Mod:x590mug →Cis-Butadiene and Ethylene
• 16:2016:20, 12 November 2010 diff hist +27 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 16:1816:18, 12 November 2010 diff hist +3,102 Rep:Mod:x590mug →Optimising the "Chair" and "Boat" Transition Structures
• 16:1316:13, 12 November 2010 diff hist 0 N File:Chari ts guess OPT imaginaryvibration.png No edit summary current
• 15:2615:26, 12 November 2010 diff hist −5 Rep:Mod:x590mug →Optimizing the Reactants and Products
• 15:2515:25, 12 November 2010 diff hist 0 N File:IR freq dft B3lyp app.png No edit summary current
• 15:2415:24, 12 November 2010 diff hist 0 N File:HF DFT antiperiplanar reactant comparison structures.png No edit summary current
• 15:2315:23, 12 November 2010 diff hist 0 N File:Part d ts chair structure comparision of terminal bond lengths using the frozen coordinate method and the relaexed frozcoordmethod.png No edit summary current
• 15:2315:23, 12 November 2010 diff hist 0 N File:Part d ts chair structure comparision of terminal bond lengths using the frozen coordinate method and TS Berny method opt.png No edit summary current
• 15:2215:22, 12 November 2010 diff hist 0 N File:IRC Method 1.png No edit summary current
• 15:2215:22, 12 November 2010 diff hist 0 N File:Part f method iii shows symmetrical RMS frad along IRC.png No edit summary current
• 15:2115:21, 12 November 2010 diff hist 0 N File:Antipp optimisedDFT freq 3233.88 intensity 45.5.gif No edit summary current
• 15:2115:21, 12 November 2010 diff hist 0 N File:Chair ts dft optfreq level.gif No edit summary current
• 15:2115:21, 12 November 2010 diff hist 0 N File:Chair ts optfreq HF level.gif No edit summary current
• 15:2015:20, 12 November 2010 diff hist 0 N File:Boat ts dft .gif No edit summary current
• 15:2015:20, 12 November 2010 diff hist 0 N File:Boat ts HF.gif No edit summary current
• 15:2015:20, 12 November 2010 diff hist 0 N File:The cope rearrangement.png No edit summary current
• 15:1915:19, 12 November 2010 diff hist 0 N File:Dielsalderreactuib.png No edit summary current
• 15:1915:19, 12 November 2010 diff hist 0 N File:Homolumocisbutadiene ethnee.jpg No edit summary current
• 15:1815:18, 12 November 2010 diff hist +43 Rep:Mod:x590mug →Cis-Butadiene and Ethylene
• 14:5314:53, 12 November 2010 diff hist +33 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 14:4614:46, 12 November 2010 diff hist −96 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 14:4014:40, 12 November 2010 diff hist +325 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 14:3614:36, 12 November 2010 diff hist +648 Rep:Mod:x590mug →The Diels-Alder Cycloaddition
• 14:2614:26, 12 November 2010 diff hist +33 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 14:2214:22, 12 November 2010 diff hist +397 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 14:1714:17, 12 November 2010 diff hist +10 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 14:0814:08, 12 November 2010 diff hist +59 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 14:0614:06, 12 November 2010 diff hist +2,308 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 14:0114:01, 12 November 2010 diff hist −2,361 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 13:5713:57, 12 November 2010 diff hist +2,403 Rep:Mod:x590mug →Activation Energies For The Transition Structures
• 13:5613:56, 12 November 2010 diff hist +57 Rep:Mod:x590mug →Intrinisic Reaction Coordinate (IRC) Method
• 13:5513:55, 12 November 2010 diff hist +672 Rep:Mod:x590mug →Intrinisic Reaction Coordinate (IRC) Method
• 13:4413:44, 12 November 2010 diff hist +1,648 Rep:Mod:x590mug →Intrinisic Reaction Coordinate (IRC) Method
• 13:2413:24, 12 November 2010 diff hist +674 Rep:Mod:x590mug →Intrinisic Reaction Coordinate (IRC) Method
• 13:1513:15, 12 November 2010 diff hist +47 Rep:Mod:x590mug →Boat TS
• 13:0813:08, 12 November 2010 diff hist +843 Rep:Mod:x590mug →Boat TS