User contributions for Gc2109

15 February 2012

• 19:0619:06, 15 February 2012 diff hist +149 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 19:0419:04, 15 February 2012 diff hist +16 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 19:0319:03, 15 February 2012 diff hist +77 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 18:5818:58, 15 February 2012 diff hist 0 N File:Boat ts topview gc2109 840 2.gif No edit summary current
• 18:5818:58, 15 February 2012 diff hist 0 N File:Boat ts sideview gc2109 840 2.gif No edit summary current
• 18:5818:58, 15 February 2012 diff hist 0 File:Topview chair TS nonfreeze gc2109.gif uploaded a new version of "File:Topview chair TS nonfreeze gc2109.gif" current
• 18:5818:58, 15 February 2012 diff hist 0 File:Topview chair TS .gif uploaded a new version of "File:Topview chair TS .gif" current
• 18:5818:58, 15 February 2012 diff hist 0 File:Sideview chair TS nonfreeze gc2190.gif uploaded a new version of "File:Sideview chair TS nonfreeze gc2190.gif" current
• 18:5818:58, 15 February 2012 diff hist 0 File:Sideview chair TS .gif uploaded a new version of "File:Sideview chair TS .gif" current
• 18:5618:56, 15 February 2012 diff hist +1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
• 18:5618:56, 15 February 2012 diff hist +339 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
• 18:3718:37, 15 February 2012 diff hist −19 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
• 18:3518:35, 15 February 2012 diff hist +240 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
• 01:1101:11, 15 February 2012 diff hist +315 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →The Diels-Alder Cycloaddition
• 01:0201:02, 15 February 2012 diff hist +41 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 01:0101:01, 15 February 2012 diff hist +948 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:4700:47, 15 February 2012 diff hist −3 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
• 00:4700:47, 15 February 2012 diff hist +650 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:3600:36, 15 February 2012 diff hist +38 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:3500:35, 15 February 2012 diff hist +160 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
• 00:3400:34, 15 February 2012 diff hist +660 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
• 00:2600:26, 15 February 2012 diff hist +516 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(2)Re-run the IRC calculation with a higher maximum number of steps
• 00:2200:22, 15 February 2012 diff hist +557 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
• 00:0800:08, 15 February 2012 diff hist −11 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) No edit summary
• 00:0700:07, 15 February 2012 diff hist −1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:0600:06, 15 February 2012 diff hist −2 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:0600:06, 15 February 2012 diff hist −2 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
• 00:0500:05, 15 February 2012 diff hist +1,570 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate

14 February 2012

• 22:4822:48, 14 February 2012 diff hist +2 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Summary of Results from the Optimisation of the Chair and Boat Transition States
• 22:4822:48, 14 February 2012 diff hist +84 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 22:4722:47, 14 February 2012 diff hist +168 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 19:3519:35, 14 February 2012 diff hist +420 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) No edit summary
• 19:3019:30, 14 February 2012 diff hist +375 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 19:1619:16, 14 February 2012 diff hist +846 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 18:5418:54, 14 February 2012 diff hist +12 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 18:5418:54, 14 February 2012 diff hist +508 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 18:3918:39, 14 February 2012 diff hist +2,025 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 18:0718:07, 14 February 2012 diff hist +161 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Transition States
• 16:4216:42, 14 February 2012 diff hist −3 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 16:4116:41, 14 February 2012 diff hist +1,070 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 16:2916:29, 14 February 2012 diff hist +67 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 16:0916:09, 14 February 2012 diff hist +28 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 16:0816:08, 14 February 2012 diff hist +464 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 16:0016:00, 14 February 2012 diff hist +601 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Thermochemical Data Analysis
• 15:4815:48, 14 February 2012 diff hist +1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Frequency Analysis
• 14:4314:43, 14 February 2012 diff hist +225 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Frequency Analysis
• 14:4014:40, 14 February 2012 diff hist +170 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Frequency Analysis
• 14:3614:36, 14 February 2012 diff hist −18 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Frequency Analysis
• 14:3414:34, 14 February 2012 diff hist +337 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Frequency Analysis
• 14:2814:28, 14 February 2012 diff hist +61 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) No edit summary