User contributions for Awp13

4 December 2015

• 17:1917:19, 4 December 2015 diff hist +527 Rep:Mod:Alex Powel Transition States and Reactivity →Comparison of Endo and Exo TS Structures and Energies
• 15:0415:04, 4 December 2015 diff hist +6 Rep:Mod:Alex Powel Transition States and Reactivity →Optimisation of Boat Transition Structure Using QST2 Method
• 15:0215:02, 4 December 2015 diff hist +298 Rep:Mod:Alex Powel Transition States and Reactivity →Introduction
• 14:5914:59, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Transition State Structure Optimisation
• 14:5714:57, 4 December 2015 diff hist +115 Rep:Mod:Alex Powel Transition States and Reactivity →Comparison of Endo and Exo TS Structures and Energies
• 14:5414:54, 4 December 2015 diff hist −1 Rep:Mod:Alex Powel Transition States and Reactivity →Comparison of Endo and Exo TS Structures and Energies
• 14:5314:53, 4 December 2015 diff hist +1 Rep:Mod:Alex Powel Transition States and Reactivity →Locating the Transition Structure for the Formation of the Endo Product
• 14:5314:53, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Locating the Transition Structure for the Formation of the Endo Product
• 14:5014:50, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Locating the Transition Structure for the Formation of the Exo Product
• 14:4814:48, 4 December 2015 diff hist −1 Rep:Mod:Alex Powel Transition States and Reactivity →Study of the Regioselectivity of the Diels Alder Reaction
• 14:4714:47, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Transition State Structure Optimisation
• 14:4614:46, 4 December 2015 diff hist +7 Rep:Mod:Alex Powel Transition States and Reactivity →Transition Structure Optimisation
• 14:4214:42, 4 December 2015 diff hist +1 Rep:Mod:Alex Powel Transition States and Reactivity →Activation Energy Calculations For Chair & Boat TS
• 14:4114:41, 4 December 2015 diff hist +21 Rep:Mod:Alex Powel Transition States and Reactivity →Activation Energy Calculations For Chair & Boat TS
• 14:4014:40, 4 December 2015 diff hist +1 Rep:Mod:Alex Powel Transition States and Reactivity →IRC: Using Intrinsic Reaction Coordinate
• 14:3814:38, 4 December 2015 diff hist +8 Rep:Mod:Alex Powel Transition States and Reactivity →Attempt 1: Failure to optimise
• 14:3714:37, 4 December 2015 diff hist +90 Rep:Mod:Alex Powel Transition States and Reactivity →Method 2: The redundant coordinate
• 14:2814:28, 4 December 2015 diff hist −3 Rep:Mod:Alex Powel Transition States and Reactivity →Frequency Analysis of anti2-1,5-hexadiene
• 14:2514:25, 4 December 2015 diff hist −2 Rep:Mod:Alex Powel Transition States and Reactivity →Computational Methods
• 14:2314:23, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Computational Methods
• 14:2214:22, 4 December 2015 diff hist −3 Rep:Mod:Alex Powel Transition States and Reactivity No edit summary
• 14:1914:19, 4 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →The Diels Alder Cycloaddition
• 14:1714:17, 4 December 2015 diff hist +5 Rep:Mod:Alex Powel Transition States and Reactivity →The Diels Alder Cycloaddition
• 14:1414:14, 4 December 2015 diff hist 0 N File:Other diels alder.PNG No edit summary current
• 14:1314:13, 4 December 2015 diff hist +1 Rep:Mod:Alex Powel Transition States and Reactivity →Transition Structure Optimisation
• 14:1314:13, 4 December 2015 diff hist +1 Rep:Mod:Alex Powel Transition States and Reactivity →Computational Methods
• 14:1014:10, 4 December 2015 diff hist +1,658 Rep:Mod:Alex Powel Transition States and Reactivity →Comparison of Endo and Exo TS Structures and Energies
• 14:0814:08, 4 December 2015 diff hist +168 Rep:Mod:Alex Powel Transition States and Reactivity →Comparison of Endo and Exo TS Structures and Energies
• 14:0314:03, 4 December 2015 diff hist +1,866 Rep:Mod:Alex Powel Transition States and Reactivity →Transition Structure Optimisation

3 December 2015

• 21:3021:30, 3 December 2015 diff hist +171 Rep:Mod:Alex Powel Transition States and Reactivity →Transition Structure Optimisation
• 21:1321:13, 3 December 2015 diff hist +111 Rep:Mod:Alex Powel Transition States and Reactivity →Diels Alder Computation at Semi-Empirical AM1 Level of Theory
• 20:5920:59, 3 December 2015 diff hist −12 Rep:Mod:Alex Powel Transition States and Reactivity →The Diels Alder Cycloaddition
• 20:5720:57, 3 December 2015 diff hist +281 Rep:Mod:Alex Powel Transition States and Reactivity →The Diels Alder Cycloaddition
• 20:4820:48, 3 December 2015 diff hist 0 N File:Basic diels alder.PNG No edit summary current
• 20:4120:41, 3 December 2015 diff hist +198 Rep:Mod:Alex Powel Transition States and Reactivity →The Diels Alder Cycloaddition
• 20:2120:21, 3 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →Activation Energy Calculations For Chair & Boat TS
• 20:1920:19, 3 December 2015 diff hist 0 Rep:Mod:Alex Powel Transition States and Reactivity →IRC: Using Intrinsic Reaction Coordinate
• 20:1620:16, 3 December 2015 diff hist −2 Rep:Mod:Alex Powel Transition States and Reactivity →IRC: Using Intrinsic Reaction Coordinate
• 20:1220:12, 3 December 2015 diff hist −2 Rep:Mod:Alex Powel Transition States and Reactivity →Attempt 2: Optimisation starting from modified bond angels
• 20:1120:11, 3 December 2015 diff hist −1 Rep:Mod:Alex Powel Transition States and Reactivity →Attempt 2: Optimisation starting from modified bond angels
• 20:0820:08, 3 December 2015 diff hist +107 Rep:Mod:Alex Powel Transition States and Reactivity →Attempt 1: Failure to optimise
• 20:0120:01, 3 December 2015 diff hist −6 Rep:Mod:Alex Powel Transition States and Reactivity →Optimisation of Boat Transition Structure Using QST2 Method
• 20:0020:00, 3 December 2015 diff hist +102 Rep:Mod:Alex Powel Transition States and Reactivity →Method 2: The redundant coordinate
• 19:5219:52, 3 December 2015 diff hist +37 Rep:Mod:Alex Powel Transition States and Reactivity →Optimising the Chair and Boat Transition Structures
• 19:1419:14, 3 December 2015 diff hist +585 Rep:Mod:Alex Powel Transition States and Reactivity →Optimising the Chair and Boat Transition Structures
• 18:2818:28, 3 December 2015 diff hist +25 Rep:Mod:Alex Powel Transition States and Reactivity →Frequency Analysis of anti2-1,5-hexadiene
• 17:5417:54, 3 December 2015 diff hist +325 Rep:Mod:Alex Powel Transition States and Reactivity →Reoptimisation of anti2-1,5-hexadiene
• 17:4517:45, 3 December 2015 diff hist +242 Rep:Mod:Alex Powel Transition States and Reactivity →anti2-1,5-Hexadiene
• 17:4117:41, 3 December 2015 diff hist +95 Rep:Mod:Alex Powel Transition States and Reactivity →The Cope Rearrangement
• 17:2917:29, 3 December 2015 diff hist +59 Rep:Mod:Alex Powel Transition States and Reactivity →anti2-1,5-Hexadiene