User contributions for Sl2810

4 December 2012

• 13:3613:36, 4 December 2012 diff hist +467 Rep:Mod:SSYL Computational Labs - Module 3 →D) Intrinsic Reaction Coordinate (IRC)
• 13:2813:28, 4 December 2012 diff hist +52 Rep:Mod:SSYL Computational Labs - Module 3 →C) Optimisation of the Terminal Bonds
• 13:2613:26, 4 December 2012 diff hist +43 Rep:Mod:SSYL Computational Labs - Module 3 →PART 2: Diels-Alder Cycloaddition
• 13:2413:24, 4 December 2012 diff hist 0 Rep:Mod:SSYL Computational Labs - Module 3 →PART 3: Diels-Alder Cycloaddition
• 13:2413:24, 4 December 2012 diff hist +6 Rep:Mod:SSYL Computational Labs - Module 3 →PART 2: Optimising the "Chair" and "Boat" Configurations
• 13:2213:22, 4 December 2012 diff hist +37 Rep:Mod:SSYL Computational Labs - Module 3 →PART 1: Comparison of 1,5-Hexadiene Conformations
• 13:2113:21, 4 December 2012 diff hist +39 Rep:Mod:SSYL Computational Labs - Module 3 →PART 1: Comparison of 1,5-Hexadiene Conformations
• 12:4712:47, 4 December 2012 diff hist +3 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 12:4512:45, 4 December 2012 diff hist +4 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 12:4412:44, 4 December 2012 diff hist +67 Rep:Mod:SSYL Computational Labs - Module 3 →PART 1: Comparison of 1,5-Hexadiene Conformations
• 12:3812:38, 4 December 2012 diff hist +5 Rep:Mod:SSYL Computational Labs - Module 3 →Activation Energies: Optimisation of the Transition States using B3LYP/6-31G(d)

3 December 2012

• 14:4414:44, 3 December 2012 diff hist +54 Rep:Mod:SSYL Computational Labs - Module 3 →Cyclohexa-1,3-Diene Reaction with Maleic Anhydride
• 14:3814:38, 3 December 2012 diff hist +71 Rep:Mod:SSYL Computational Labs - Module 3 →Cyclohexa-1,3-Diene Reaction with Maleic Anhydride
• 14:3714:37, 3 December 2012 diff hist +6 Rep:Mod:SSYL Computational Labs - Module 3 →Confirmation of Optimisation
• 14:0714:07, 3 December 2012 diff hist +155 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State: cis-Butadiene and Ethylene
• 14:0014:00, 3 December 2012 diff hist +64 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State: cis-Butadiene and Ethylene
• 13:5813:58, 3 December 2012 diff hist −2 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 13:5713:57, 3 December 2012 diff hist +32 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 13:5513:55, 3 December 2012 diff hist −7 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 13:4813:48, 3 December 2012 diff hist +18 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 13:4813:48, 3 December 2012 diff hist +10 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 13:4713:47, 3 December 2012 diff hist +493 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 13:4513:45, 3 December 2012 diff hist 0 N File:Sl2810ts.png No edit summary current
• 13:4413:44, 3 December 2012 diff hist +320 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 13:1513:15, 3 December 2012 diff hist +382 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 12:4212:42, 3 December 2012 diff hist −69 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 12:4112:41, 3 December 2012 diff hist −4 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 12:3912:39, 3 December 2012 diff hist +5 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 12:3712:37, 3 December 2012 diff hist +318 Rep:Mod:SSYL Computational Labs - Module 3 →Transition State
• 12:3412:34, 3 December 2012 diff hist +789 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 12:1112:11, 3 December 2012 diff hist +26 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene

30 November 2012

• 14:3814:38, 30 November 2012 diff hist +47 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of cis-Butadiene
• 14:3714:37, 30 November 2012 diff hist 0 N File:Sl2810butadieneLUMO.png No edit summary current
• 14:3714:37, 30 November 2012 diff hist 0 N File:Sl2810butadieneHOMO.png No edit summary current
• 14:3714:37, 30 November 2012 diff hist 0 File:Sl2810butadiene.png uploaded a new version of "File:Sl2810butadiene.png" current
• 14:3414:34, 30 November 2012 diff hist 0 N File:Sl2810butadiene.png No edit summary
• 14:3414:34, 30 November 2012 diff hist +369 Rep:Mod:SSYL Computational Labs - Module 3 →PART 3: Diels-Alder Cycloaddition
• 14:0614:06, 30 November 2012 diff hist +193 Rep:Mod:SSYL Computational Labs - Module 3 →Activation Energies: Optimisation of the Transition States using B3LYP/6-31G(d)
• 14:0514:05, 30 November 2012 diff hist +71 Rep:Mod:SSYL Computational Labs - Module 3 →Activation Energies: Optimisation of the Transition States using B3LYP/6-31G(d)
• 13:3813:38, 30 November 2012 diff hist +41 Rep:Mod:SSYL Computational Labs - Module 3 →Activation Energies: Optimisation of the Transition States using B3LYP/6-31G(d)
• 13:3713:37, 30 November 2012 diff hist +89 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation of the Boat Transition State
• 13:2813:28, 30 November 2012 diff hist −93 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:2813:28, 30 November 2012 diff hist +383 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:0413:04, 30 November 2012 diff hist −57 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method

29 November 2012

• 13:5813:58, 29 November 2012 diff hist +710 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:5613:56, 29 November 2012 diff hist +59 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:5613:56, 29 November 2012 diff hist +321 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:5413:54, 29 November 2012 diff hist +50 Rep:Mod:SSYL Computational Labs - Module 3 →Optimisation using the QST2 Method
• 13:5313:53, 29 November 2012 diff hist 0 N File:Sl2810opboat2.png No edit summary current
• 13:5313:53, 29 November 2012 diff hist 0 N File:Sl2810opboat1.png No edit summary current