User contributions for Ptf11
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12 February 2014
- 18:1818:18, 12 February 2014 diff hist 0 N File:PTFIRCGAUCHE3.mol2 No edit summary current
- 18:1518:15, 12 February 2014 diff hist −2 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 18:1418:14, 12 February 2014 diff hist +1,980 Rep:Mod:imissmelody →References
- 18:1118:11, 12 February 2014 diff hist +671 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 18:0418:04, 12 February 2014 diff hist +1,218 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 17:3117:31, 12 February 2014 diff hist 0 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)
- 17:3017:30, 12 February 2014 diff hist +281 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)
- 17:1117:11, 12 February 2014 diff hist +93 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 17:0917:09, 12 February 2014 diff hist 0 N File:PTFAECALC.xlsx No edit summary current
- 16:5716:57, 12 February 2014 diff hist −1 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 15:3715:37, 12 February 2014 diff hist −4 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 15:3315:33, 12 February 2014 diff hist +277 Rep:Mod:imissmelody →"Boat" Transition State Optimization using QS3 Method
- 15:3315:33, 12 February 2014 diff hist 0 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 15:2515:25, 12 February 2014 diff hist +277 Rep:Mod:imissmelody →Optimizing the "Chair" Transition State (The Hessian Method)
- 15:1715:17, 12 February 2014 diff hist +2,611 Rep:Mod:imissmelody →Energy Comparison of Transition States
- 14:0314:03, 12 February 2014 diff hist −86 Rep:Mod:imissmelody →Reoptimized Boat Transition Structure
- 14:0314:03, 12 February 2014 diff hist +277 Rep:Mod:imissmelody →Reoptimized Boat Transition Structure
- 14:0114:01, 12 February 2014 diff hist −87 Rep:Mod:imissmelody →Reoptimized Chair Transition Structure
- 14:0114:01, 12 February 2014 diff hist +277 Rep:Mod:imissmelody →Reoptimized Chair Transition Structure
- 13:4213:42, 12 February 2014 diff hist +46 Rep:Mod:imissmelody →References
- 13:4013:40, 12 February 2014 diff hist +1 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:3813:38, 12 February 2014 diff hist +235 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:3613:36, 12 February 2014 diff hist +317 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:3113:31, 12 February 2014 diff hist 0 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:3113:31, 12 February 2014 diff hist +64 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:2713:27, 12 February 2014 diff hist 0 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:2613:26, 12 February 2014 diff hist +10 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:2513:25, 12 February 2014 diff hist 0 N File:Ptfchaird.jpg No edit summary current
- 13:2213:22, 12 February 2014 diff hist +1 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:1613:16, 12 February 2014 diff hist −1 Rep:Mod:imissmelody →Geometry Comparison of Transition States at Two Levels of Theory
- 13:1513:15, 12 February 2014 diff hist −1 Rep:Mod:imissmelody →Boat Transition Structure Comparison
- 13:1513:15, 12 February 2014 diff hist +953 Rep:Mod:imissmelody →References
- 12:5712:57, 12 February 2014 diff hist −173 Rep:Mod:imissmelody →Reoptimized Boat Transition Structure
- 12:5712:57, 12 February 2014 diff hist −172 Rep:Mod:imissmelody →Reoptimized Chair Transition Structure
- 12:5412:54, 12 February 2014 diff hist +6 Rep:Mod:imissmelody →Reoptimized Chair Transition Structure
- 12:5312:53, 12 February 2014 diff hist 0 N File:PTFREBOAT.mol2 No edit summary current
- 12:5312:53, 12 February 2014 diff hist 0 N File:PTFREBOAT.LOG No edit summary current
- 12:5312:53, 12 February 2014 diff hist +7 Rep:Mod:imissmelody →Reoptimized Boat Transition Structure
- 11:2411:24, 12 February 2014 diff hist +3,940 Rep:Mod:imissmelody →Reoptimized Chair Transition Structure
- 11:1911:19, 12 February 2014 diff hist 0 N File:PTFRECHAIR.mol2 No edit summary current
- 11:1911:19, 12 February 2014 diff hist 0 N File:PTFRECHAIR.LOG No edit summary current
- 11:0011:00, 12 February 2014 diff hist +783 Rep:Mod:imissmelody →Activation Energy
- 10:5510:55, 12 February 2014 diff hist +24 Rep:Mod:imissmelody →References
- 01:4301:43, 12 February 2014 diff hist −3 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)
- 01:4201:42, 12 February 2014 diff hist 0 File:Ptfircgauche2.mol2 uploaded a new version of "File:Ptfircgauche2.mol2" current
- 01:4001:40, 12 February 2014 diff hist −15 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)
- 01:3901:39, 12 February 2014 diff hist +14 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)
- 01:3901:39, 12 February 2014 diff hist 0 N File:Ptfircgauche2.mol2 No edit summary
- 01:3901:39, 12 February 2014 diff hist 0 N File:PTFIRCGAUCHE2.LOG No edit summary current
- 01:3801:38, 12 February 2014 diff hist +325 Rep:Mod:imissmelody →Intrinsic Reaction Coordinates (IRC)