User contributions for Gc2109

16 February 2012

• 12:4312:43, 16 February 2012 diff hist +432 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 12:4212:42, 16 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 12:4212:42, 16 February 2012 diff hist +183 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 12:3712:37, 16 February 2012 diff hist 0 N File:LUMO rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:HOMO rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:DFT LUMO rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:DFT HOMO-1 rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:DFT HOMO rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:AM1 HOMO-1 rxn1 gc2109.jpg No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:Rxn1 TS DFT gc2109.gif No edit summary current
• 12:3712:37, 16 February 2012 diff hist 0 N File:Rxn1 TS AM1 gc2109.gif No edit summary current
• 12:3412:34, 16 February 2012 diff hist +534 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 12:3112:31, 16 February 2012 diff hist +878 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Reactants, Ethene and Butadiene
• 12:3112:31, 16 February 2012 diff hist −879 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 12:0012:00, 16 February 2012 diff hist +3 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Reactants, Cyclohexadiene and Maleic Anhydride
• 11:5811:58, 16 February 2012 diff hist −11 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Reactants, Cyclohexadiene and Maleic Anhydride
• 11:5811:58, 16 February 2012 diff hist +887 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →The Diels-Alder Cycloaddition
• 11:5611:56, 16 February 2012 diff hist +458 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 11:5211:52, 16 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 11:5211:52, 16 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 11:5111:51, 16 February 2012 diff hist +420 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) No edit summary
• 11:5011:50, 16 February 2012 diff hist 0 N File:Maleic DFT LUMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Maleic DFT HOMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Ethene DFT LUMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Ethene DFT HOMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Cyclo DFT LUMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Cyclo DFT HOMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Butadiene DFT LUMO gc2109.jpg No edit summary current
• 11:5011:50, 16 February 2012 diff hist 0 N File:Butadiene DFT HOMO gc2109.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Maleic AM1 LUMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Maleic AM1 HOMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Ethene AM1 LUMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Ethene AM1 HOMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Cyclo AM1 LUMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Cyclo AM1 HOMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Butadiene AM1 LUMO gc1209.jpg No edit summary current
• 11:4611:46, 16 February 2012 diff hist 0 N File:Butadiene AM1 HOMO gc1209.jpg No edit summary current

15 February 2012

• 20:4120:41, 15 February 2012 diff hist −1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 20:4120:41, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 20:4020:40, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 20:4020:40, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Boat TS
• 20:3920:39, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 20:3820:38, 15 February 2012 diff hist +9 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
• 20:3720:37, 15 February 2012 diff hist +1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
• 20:3720:37, 15 February 2012 diff hist −7 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
• 20:3620:36, 15 February 2012 diff hist +7 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
• 20:3520:35, 15 February 2012 diff hist −2 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
• 20:3420:34, 15 February 2012 diff hist +21 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
• 20:3420:34, 15 February 2012 diff hist 0 N File:BoatallFC IRC RMS gc2109.jpg No edit summary current
• 20:3420:34, 15 February 2012 diff hist 0 N File:BoatallFC IRC energy gc2109.jpg No edit summary current