User contributions for Cr810

2 November 2012

• 05:1105:11, 2 November 2012 diff hist 0 N File:Exo TS opt freq.mol No edit summary current
• 05:0705:07, 2 November 2012 diff hist +926 Rep:Mod:cr810module3 →Finding the transition states
• 04:5504:55, 2 November 2012 diff hist +407 Rep:Mod:cr810module3 →Preparing the models
• 04:5104:51, 2 November 2012 diff hist +39 Rep:Mod:cr810module3 →Preparing the models
• 04:5004:50, 2 November 2012 diff hist +101 Rep:Mod:cr810module3 →Preparing the models
• 04:4904:49, 2 November 2012 diff hist 0 File:Endo HOMO.jpg uploaded a new version of "File:Endo HOMO.jpg"
• 04:4504:45, 2 November 2012 diff hist 0 N File:Exo LUMO1.jpg No edit summary current
• 04:4504:45, 2 November 2012 diff hist 0 File:Exo HOMO.jpg uploaded a new version of "File:Exo HOMO.jpg"
• 04:4504:45, 2 November 2012 diff hist 0 File:Endo LUMO.jpg uploaded a new version of "File:Endo LUMO.jpg"
• 04:4504:45, 2 November 2012 diff hist 0 File:Endo HOMO.jpg uploaded a new version of "File:Endo HOMO.jpg"
• 04:4504:45, 2 November 2012 diff hist 0 N File:Exo HF.mol No edit summary current
• 04:4504:45, 2 November 2012 diff hist 0 N File:Endo hf.mol No edit summary
• 04:3304:33, 2 November 2012 diff hist +1,339 Rep:Mod:cr810module3 →Cyclohexa-1,3-diene and Maleic Anhydride
• 04:1304:13, 2 November 2012 diff hist 0 N File:Maleic LUMO1.jpg No edit summary current
• 04:1304:13, 2 November 2012 diff hist 0 File:Maleic HOMO.jpg uploaded a new version of "File:Maleic HOMO.jpg" current
• 04:1304:13, 2 November 2012 diff hist 0 File:Cyclo LUMO.jpg uploaded a new version of "File:Cyclo LUMO.jpg" current
• 04:1304:13, 2 November 2012 diff hist 0 File:Cyclo HOMO.jpg uploaded a new version of "File:Cyclo HOMO.jpg" current
• 04:1304:13, 2 November 2012 diff hist 0 N File:Maleic mm2.mol No edit summary current
• 04:1304:13, 2 November 2012 diff hist 0 N File:Cyclo mm2.mol No edit summary current

1 November 2012

• 16:3316:33, 1 November 2012 diff hist +48 Rep:Mod:cr810module3 →Transition state of the reaction
• 16:3216:32, 1 November 2012 diff hist +445 Rep:Mod:cr810module3 →Transition state of the reaction
• 16:2316:23, 1 November 2012 diff hist +1,094 Rep:Mod:cr810module3 →Transition state of the reaction
• 15:0915:09, 1 November 2012 diff hist +441 Rep:Mod:cr810module3 →Transition state of the reaction
• 13:5713:57, 1 November 2012 diff hist 0 Rep:Mod:cr810module3 →Cis-Butadiene and Ethylene Adduct
• 13:5613:56, 1 November 2012 diff hist +427 Rep:Mod:cr810module3 →Transition state of the reaction
• 13:5013:50, 1 November 2012 diff hist +566 Rep:Mod:cr810module3 →Transition state of the reaction
• 13:4913:49, 1 November 2012 diff hist 0 N File:Ts opt freq berny.log No edit summary current
• 13:4913:49, 1 November 2012 diff hist 0 File:Ts lumo.jpg uploaded a new version of "File:Ts lumo.jpg" current
• 13:4913:49, 1 November 2012 diff hist 0 File:Ts homo.jpg uploaded a new version of "File:Ts homo.jpg" current
• 13:4913:49, 1 November 2012 diff hist 0 N File:Ts HF.mol No edit summary current
• 13:0613:06, 1 November 2012 diff hist 0 File:Butadiene am1.png uploaded a new version of "File:Butadiene am1.png": Reverted to version as of 22:58, 31 October 2012 current
• 01:3001:30, 1 November 2012 diff hist +104 Rep:Mod:cr810module3 →Molecular Orbitals
• 01:2201:22, 1 November 2012 diff hist 0 N File:Ethylene HOMO1.jpg No edit summary current
• 01:1901:19, 1 November 2012 diff hist +604 Rep:Mod:cr810module3 →Butadiene MOs
• 01:1801:18, 1 November 2012 diff hist 0 N File:Ethylene min.jpg No edit summary current
• 01:0201:02, 1 November 2012 diff hist 0 N File:Ethylene LUMO.png No edit summary

31 October 2012

• 23:1523:15, 31 October 2012 diff hist +42 Rep:Mod:cr810module3 →Butadiene MOs
• 23:0923:09, 31 October 2012 diff hist +1,338 Rep:Mod:cr810module3 →The Diels Alder Cycloaddition
• 23:0123:01, 31 October 2012 diff hist 0 File:Butadiene lumo.jpg uploaded a new version of "File:Butadiene lumo.jpg" current
• 23:0123:01, 31 October 2012 diff hist 0 File:Butadiene homo.jpg uploaded a new version of "File:Butadiene homo.jpg" current
• 22:5822:58, 31 October 2012 diff hist 0 File:Butadiene am1.png uploaded a new version of "File:Butadiene am1.png"
• 22:4922:49, 31 October 2012 diff hist 0 N File:Butadiene am1.png No edit summary
• 17:4517:45, 31 October 2012 diff hist +35 Rep:Mod:cr810module3 →Summary of activation energies (in kcal/mol)
• 17:4417:44, 31 October 2012 diff hist +702 Rep:Mod:cr810module3 →Summary of activation energies (in kcal/mol)
• 17:3717:37, 31 October 2012 diff hist +462 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees)
• 16:5216:52, 31 October 2012 diff hist +1,535 Rep:Mod:cr810module3 →Relative Energies
• 16:5216:52, 31 October 2012 diff hist −1,536 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees)
• 16:5216:52, 31 October 2012 diff hist −157 Rep:Mod:cr810module3 →Activation Energies
• 16:5016:50, 31 October 2012 diff hist +37 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees)
• 16:4916:49, 31 October 2012 diff hist +1,498 Rep:Mod:cr810module3 →Optimising the Boat transition state