User contributions for Wll12

26 January 2015

• 00:3300:33, 26 January 2015 diff hist 0 N File:CIS BUTADIENE SEMI EMPIRICAL AM1 OPT.mol No edit summary current
• 00:3300:33, 26 January 2015 diff hist +170 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
• 00:2900:29, 26 January 2015 diff hist 0 N File:Cis butadiene MO LUMO Transparent.JPG No edit summary current
• 00:2800:28, 26 January 2015 diff hist 0 N File:Cis butadiene MO HOMO Transparent.JPG No edit summary current
• 00:2800:28, 26 January 2015 diff hist +835 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
• 00:2100:21, 26 January 2015 diff hist −7 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures

25 January 2015

• 23:5223:52, 25 January 2015 diff hist +75 Rep:Mod:WLL12Physicalcomplab →Intrinsic Reaction Coordinate (IRC) Method
• 23:4723:47, 25 January 2015 diff hist −18 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:4623:46, 25 January 2015 diff hist +18 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:4223:42, 25 January 2015 diff hist +70 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:3823:38, 25 January 2015 diff hist +30 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:3823:38, 25 January 2015 diff hist 0 N File:Boat Transtion numbering.JPG No edit summary current
• 23:3323:33, 25 January 2015 diff hist +56 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 23:3223:32, 25 January 2015 diff hist 0 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:2023:20, 25 January 2015 diff hist −1 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:1523:15, 25 January 2015 diff hist +86 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:0923:09, 25 January 2015 diff hist +78 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:0623:06, 25 January 2015 diff hist +96 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:0323:03, 25 January 2015 diff hist +6 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 23:0123:01, 25 January 2015 diff hist +50 Rep:Mod:WLL12Physicalcomplab →Optimization of Chair and Boat Transition structures using B3LYP/6-31G*
• 22:5822:58, 25 January 2015 diff hist +1,066 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
• 22:3722:37, 25 January 2015 diff hist +39 Rep:Mod:WLL12Physicalcomplab →Intrinsic Reaction Coordinate (IRC) Method
• 22:3722:37, 25 January 2015 diff hist +12 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 22:3622:36, 25 January 2015 diff hist +542 Rep:Mod:WLL12Physicalcomplab →Intrinsic Reaction Coordinate (IRC) Method
• 22:2522:25, 25 January 2015 diff hist +130 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
• 22:2222:22, 25 January 2015 diff hist −172 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
• 22:1922:19, 25 January 2015 diff hist +66 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 22:1722:17, 25 January 2015 diff hist +392 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 21:5221:52, 25 January 2015 diff hist 0 N File:Cope rearrangement scheme JPEG.JPG No edit summary
• 21:5021:50, 25 January 2015 diff hist 0 File:Failed boat transition state.PNG Wll12 uploaded a new version of "File:Failed boat transition state.PNG"
• 21:4921:49, 25 January 2015 diff hist +357 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 21:4721:47, 25 January 2015 diff hist 0 N File:Failed boat transition state.PNG No edit summary
• 21:3821:38, 25 January 2015 diff hist 0 Rep:Mod:WLL12Physicalcomplab →Frequency Analysis of "anti" 1,5-hexadiene, Ci conformation; DFT/6-31G
• 21:3821:38, 25 January 2015 diff hist 0 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 21:3721:37, 25 January 2015 diff hist +81 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 21:3621:36, 25 January 2015 diff hist 0 N File:Cope rearrangement scheme.jpg No edit summary current
• 21:3321:33, 25 January 2015 diff hist 0 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 21:3321:33, 25 January 2015 diff hist 0 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
• 20:5720:57, 25 January 2015 diff hist +314 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 18:3518:35, 25 January 2015 diff hist +97 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
• 17:1217:12, 25 January 2015 diff hist +422 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 13:2213:22, 25 January 2015 diff hist +195 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 12:4412:44, 25 January 2015 diff hist +368 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 01:0101:01, 25 January 2015 diff hist +289 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
• 00:2200:22, 25 January 2015 diff hist +17 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
• 00:2100:21, 25 January 2015 diff hist +4 Rep:Mod:WLL12Physicalcomplab →Frequency Analysis of "anti" 1,5-hexadiene, Ci conformation; DFT/6-31G
• 00:2100:21, 25 January 2015 diff hist +20 Rep:Mod:WLL12Physicalcomplab →Frequency Analysis of "anti" 1,5-hexadiene, Ci conformation; DFT/6-31G
• 00:1900:19, 25 January 2015 diff hist +117 Rep:Mod:WLL12Physicalcomplab →Frequency Analysis of "anti" 1,5-hexadiene, Ci conformation; DFT/6-31G
• 00:0800:08, 25 January 2015 diff hist +93 Rep:Mod:WLL12Physicalcomplab →Frequency Analysis of "anti" 1,5-hexadiene, Ci conformation; DFT/6-31G
• 00:0500:05, 25 January 2015 diff hist +105 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene