User contributions for Db2409
Appearance
15 February 2012
- 16:3516:35, 15 February 2012 diff hist 0 File:DFT LUMO.jpg uploaded a new version of "File:DFT LUMO.jpg" current
- 16:3516:35, 15 February 2012 diff hist 0 N File:DFT HOMO-1.jpg No edit summary current
- 16:3516:35, 15 February 2012 diff hist 0 File:DFT HOMO.jpg uploaded a new version of "File:DFT HOMO.jpg" current
- 16:3516:35, 15 February 2012 diff hist 0 File:DFt vibration.gif uploaded a new version of "File:DFt vibration.gif" current
- 16:3316:33, 15 February 2012 diff hist −121 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 16:3016:30, 15 February 2012 diff hist +558 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 16:1916:19, 15 February 2012 diff hist 0 N File:Positive vibration 135.gif No edit summary current
- 16:1816:18, 15 February 2012 diff hist +652 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 16:0816:08, 15 February 2012 diff hist +898 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 15:5415:54, 15 February 2012 diff hist 0 N File:DFt vibration.gif No edit summary
- 15:5415:54, 15 February 2012 diff hist +112 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 15:2815:28, 15 February 2012 diff hist +6 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 15:0215:02, 15 February 2012 diff hist +671 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 14:3914:39, 15 February 2012 diff hist +225 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 14:1914:19, 15 February 2012 diff hist +57 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 14:1414:14, 15 February 2012 diff hist +96 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 14:0414:04, 15 February 2012 diff hist +302 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 13:4913:49, 15 February 2012 diff hist +4 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 13:4813:48, 15 February 2012 diff hist +3 Rep:Mod3db2409wd6 →Thermochemical data for teh reactant and products
- 13:4513:45, 15 February 2012 diff hist +120 Rep:Mod3db2409wd6 →Optimisation
- 13:4513:45, 15 February 2012 diff hist 0 N File:Anti2 HFdb2409.mol No edit summary current
- 13:4413:44, 15 February 2012 diff hist 0 N File:Anti2 dftdb2409.mol No edit summary current
- 13:2413:24, 15 February 2012 diff hist +91 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 13:1413:14, 15 February 2012 diff hist +314 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 13:0613:06, 15 February 2012 diff hist +218 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 12:5912:59, 15 February 2012 diff hist +1,651 Rep:Mod3db2409wd6 →Activation Energies For the Chair and Boat Transition structures
- 12:5212:52, 15 February 2012 diff hist −1,533 Rep:Mod3db2409wd6 →Activation energies for the Chair and Boat Transition States
- 12:5112:51, 15 February 2012 diff hist +1,534 Rep:Mod3db2409wd6 →Optimising Transition States
- 12:3412:34, 15 February 2012 diff hist +22 Rep:Mod3db2409wd6 →Optimisating the Transition state for the Ethene/Butadiene cyycloaddition
- 12:2412:24, 15 February 2012 diff hist −149 Rep:Mod3db2409wd6 No edit summary
14 February 2012
- 19:0319:03, 14 February 2012 diff hist +414 Rep:Mod3db2409wd6 →Optimisation
- 18:5018:50, 14 February 2012 diff hist −5 Rep:Mod3db2409wd6 →Optimising Transition States
- 18:4918:49, 14 February 2012 diff hist +299 Rep:Mod3db2409wd6 →Optimising Transition States
- 18:4618:46, 14 February 2012 diff hist +23 Rep:Mod3db2409wd6 →Optimising Transition States
- 18:4618:46, 14 February 2012 diff hist 0 N File:Boat qst2.mol No edit summary
- 18:4618:46, 14 February 2012 diff hist 0 N File:Chair freeze2.mol No edit summary current
- 18:4618:46, 14 February 2012 diff hist 0 N File:Chair freeze1.mol No edit summary current
- 18:4618:46, 14 February 2012 diff hist 0 N File:Chair tsberry.mol No edit summary current
- 18:4618:46, 14 February 2012 diff hist 0 File:ALLYL FRAGMENT OPT1.mol uploaded a new version of "File:ALLYL FRAGMENT OPT1.mol" current
- 18:3818:38, 14 February 2012 diff hist +155 Rep:Mod3db2409wd6 →Optimising the reactant of the ethene/butadiene cycloaddition
- 18:3118:31, 14 February 2012 diff hist +5 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis
- 18:3018:30, 14 February 2012 diff hist +8 Rep:Mod3db2409wd6 →Optimising Transition States
- 18:3018:30, 14 February 2012 diff hist +397 Rep:Mod3db2409wd6 →Optimising Transition States
- 18:2318:23, 14 February 2012 diff hist +68 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis
- 18:2218:22, 14 February 2012 diff hist +475 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis
- 18:1018:10, 14 February 2012 diff hist +148 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis
- 18:0918:09, 14 February 2012 diff hist +54 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis
- 18:0918:09, 14 February 2012 diff hist 0 N File:IRC 47 step.JPG No edit summary current
- 18:0918:09, 14 February 2012 diff hist 0 N File:47 step final.jpg No edit summary current
- 17:5917:59, 14 February 2012 diff hist +491 Rep:Mod3db2409wd6 →Intrinsic Reaction Coordinate analysis