User contributions for Wll12
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25 January 2015
- 00:0200:02, 25 January 2015 diff hist −183 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 00:0100:01, 25 January 2015 diff hist +216 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
24 January 2015
- 23:4123:41, 24 January 2015 diff hist +148 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:5822:58, 24 January 2015 diff hist +10 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:5622:56, 24 January 2015 diff hist +145 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:5022:50, 24 January 2015 diff hist +41 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:4922:49, 24 January 2015 diff hist 0 N File:Newnabd projection for 15 hexadiene.jpg No edit summary current
- 22:4422:44, 24 January 2015 diff hist +18 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:3622:36, 24 January 2015 diff hist +217 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 22:2422:24, 24 January 2015 diff hist +265 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 19:2819:28, 24 January 2015 diff hist +16 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
- 14:1814:18, 24 January 2015 diff hist −10 Rep:Mod:WLL12Physicalcomplab →Optimization of 1,5-Hexadiene
22 January 2015
- 16:5516:55, 22 January 2015 diff hist +7 Rep:Mod:WLL12Physicalcomplab →Optimization of cis-butadiene and Molecular Orbitals Analysis
- 16:5416:54, 22 January 2015 diff hist −78 Rep:Mod:WLL12Physicalcomplab →Optimization of cis-butadiene and Molecular Orbitals Analysis
- 16:5316:53, 22 January 2015 diff hist 0 N File:Diels Alder TS HF OPTFREQ Imaginary Animation.gif No edit summary current
- 16:4916:49, 22 January 2015 diff hist −16 Rep:Mod:WLL12Physicalcomplab →Optimization of "Boat" Transition Structures
- 16:4816:48, 22 January 2015 diff hist +6 Rep:Mod:WLL12Physicalcomplab →Optimization of cis-butadiene and Molecular Orbitals Analysis
- 16:4616:46, 22 January 2015 diff hist 0 N File:Diels Alder TS HF OPTFREQ animation.gif No edit summary current
- 16:4316:43, 22 January 2015 diff hist 0 N File:DIELS ALDER TS HF DERIVATIVE OPT3.mol No edit summary current
- 16:4216:42, 22 January 2015 diff hist +453 Rep:Mod:WLL12Physicalcomplab →Optimization of cis-butadiene and Molecular Orbitals Analysis
- 16:4216:42, 22 January 2015 diff hist 0 N File:DIELS ALDER TS HF OPTFREQ.mol No edit summary current
- 16:3116:31, 22 January 2015 diff hist +53 Rep:Mod:WLL12Physicalcomplab →The Diels Alder Cycloaddition
- 16:3016:30, 22 January 2015 diff hist +67 Rep:Mod:WLL12Physicalcomplab →Optimization of cis-butadiene and Molecular Orbitals Analysis
- 15:1315:13, 22 January 2015 diff hist +156 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:5214:52, 22 January 2015 diff hist +2 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:5214:52, 22 January 2015 diff hist +66 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:4914:49, 22 January 2015 diff hist +676 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:2214:22, 22 January 2015 diff hist +30 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:2014:20, 22 January 2015 diff hist +30 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 14:1914:19, 22 January 2015 diff hist +24 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 14:1814:18, 22 January 2015 diff hist −155 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 14:1714:17, 22 January 2015 diff hist +74 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 14:1614:16, 22 January 2015 diff hist +805 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 13:4313:43, 22 January 2015 diff hist −62 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 13:3113:31, 22 January 2015 diff hist +271 Rep:Mod:WLL12Physicalcomplab →Calculation of Activation Energies for Both Transition Structures
- 13:2813:28, 22 January 2015 diff hist −1 Rep:Mod:WLL12Physicalcomplab →Optimization of "Chair" Transition Structures
21 January 2015
- 23:4823:48, 21 January 2015 diff hist +73 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 23:4723:47, 21 January 2015 diff hist +314 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 23:4123:41, 21 January 2015 diff hist 0 N File:IRC Point 100 Chair Transition RMS Gradient Norm along IRC.JPG No edit summary current
- 23:4023:40, 21 January 2015 diff hist 0 N File:IRC Point 50 Chair Transition RMS Gradient Norm along IRC.JPG No edit summary current
- 23:3923:39, 21 January 2015 diff hist 0 N File:IRC Point 100 Chair Transition Total Energy along IRC.JPG No edit summary current
- 23:3823:38, 21 January 2015 diff hist 0 N File:IRC Point 50 Chair Transition Total Energy along IRC.JPG No edit summary current
- 23:3723:37, 21 January 2015 diff hist +63 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 23:3723:37, 21 January 2015 diff hist 0 File:IRC Point 50 Chair Transition Forward Direction Always calculate force constant.gif Wll12 uploaded a new version of "File:IRC Point 50 Chair Transition Forward Direction Always calculate force constant.gif" current
- 23:3423:34, 21 January 2015 diff hist 0 File:IRC Point 50 Chair Transition Forward Direction Always calculate force constant.gif Wll12 uploaded a new version of "File:IRC Point 50 Chair Transition Forward Direction Always calculate force constant.gif"
- 23:3123:31, 21 January 2015 diff hist 0 N File:IRC Point 100 Chair Transition Forward Direction Always calculate force constant.gif No edit summary current
- 22:5522:55, 21 January 2015 diff hist +12 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 22:5222:52, 21 January 2015 diff hist −63 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 22:5222:52, 21 January 2015 diff hist +356 Rep:Mod:WLL12Physicalcomplab →Intrisic Reaction Coordinate (IRC) Method
- 22:4722:47, 21 January 2015 diff hist 0 N File:IRC Point 50 Chair Transition Forward Direction Always calculate force constant.gif No edit summary