User contributions for Aac211
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30 October 2013
- 13:4813:48, 30 October 2013 diff hist +192 Rep:Mod:complabAC93 →Optimising the Boat Transition State via the QST3 Method
- 13:3813:38, 30 October 2013 diff hist +11 Rep:Mod:complabAC93 →Using the QST2 Method
- 13:3713:37, 30 October 2013 diff hist +11 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
- 13:3513:35, 30 October 2013 diff hist −7 Rep:Mod:complabAC93 →Using the QST2 Method
- 13:3413:34, 30 October 2013 diff hist +17 Rep:Mod:complabAC93 →Using the QST2 Method
- 13:3013:30, 30 October 2013 diff hist 0 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
- 13:3013:30, 30 October 2013 diff hist −78 Rep:Mod:complabAC93 →Second Optimisation: Using a Higher Basis Set
- 13:2913:29, 30 October 2013 diff hist +1 Rep:Mod:complabAC93 →Second Optimisation: Using a Higher Basis Set
- 13:2713:27, 30 October 2013 diff hist +638 Rep:Mod:complabAC93 →Optimisation by Freezing the Coordinates
- 11:0311:03, 30 October 2013 diff hist +524 Rep:Mod:complabAC93 →Intrinsic Reaction Coordinates
- 10:3610:36, 30 October 2013 diff hist +11 Rep:Mod:complabAC93 →Computing Activation Energies
- 10:3410:34, 30 October 2013 diff hist +547 Rep:Mod:complabAC93 →Computing Activation Energies
- 10:1510:15, 30 October 2013 diff hist +8 Rep:Mod:complabAC93 →Using the QST3 Method
- 10:1310:13, 30 October 2013 diff hist +1 Rep:Mod:complabAC93 →Optimising the Boat Transition State via the QST3 Method
29 October 2013
- 21:3221:32, 29 October 2013 diff hist +447 Rep:Mod:complabAC93 →Using the QST3 Method
- 18:5918:59, 29 October 2013 diff hist +25 Rep:Mod:complabAC93 →Computing Activation Energies
- 18:5918:59, 29 October 2013 diff hist −2 Rep:Mod:complabAC93 →Discussion on the relative stabilities of the Transition States
- 18:5718:57, 29 October 2013 diff hist −1 Rep:Mod:complabAC93 →Discussion on the relative stabilities of the Transition States
- 18:5718:57, 29 October 2013 diff hist +121 Rep:Mod:complabAC93 →Discussion on the relative stabilities of the Transition States
- 18:5018:50, 29 October 2013 diff hist +72 Rep:Mod:complabAC93 →Computing Activation Energies
- 18:4918:49, 29 October 2013 diff hist +579 Rep:Mod:complabAC93 →References
- 18:3818:38, 29 October 2013 diff hist +14 Rep:Mod:complabAC93 →Computing Activation Energies
- 18:3618:36, 29 October 2013 diff hist +98 Rep:Mod:complabAC93 →References
- 18:3418:34, 29 October 2013 diff hist +1,196 Rep:Mod:complabAC93 →Computing Activation Energies
- 17:5017:50, 29 October 2013 diff hist +20 Rep:Mod:complabAC93 →Computing Activation Energies
- 17:4717:47, 29 October 2013 diff hist +251 Rep:Mod:complabAC93 →References
- 17:0217:02, 29 October 2013 diff hist +2 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 17:0017:00, 29 October 2013 diff hist +494 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 16:1716:17, 29 October 2013 diff hist +32 Rep:Mod:complabAC93 →Revisited QST2 Method
- 16:1616:16, 29 October 2013 diff hist +32 Rep:Mod:complabAC93 →Optimisation by Computing the Hessian
- 16:1516:15, 29 October 2013 diff hist +339 Rep:Mod:complabAC93 →References
- 15:3515:35, 29 October 2013 diff hist +2 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 15:3415:34, 29 October 2013 diff hist 0 N File:350 T alix.JPG No edit summary current
- 15:3315:33, 29 October 2013 diff hist 0 N File:0.0001T alix.JPG No edit summary current
- 15:3115:31, 29 October 2013 diff hist +156 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 15:2415:24, 29 October 2013 diff hist +317 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 15:2115:21, 29 October 2013 diff hist +286 Rep:Mod:complabAC93 →Frequency Analysis of 1,5-hexadiene [Anti 2]
- 15:1315:13, 29 October 2013 diff hist −1 Rep:Mod:complabAC93 →Conformers of 1,5-hexadiene
- 15:1215:12, 29 October 2013 diff hist −3 Rep:Mod:complabAC93 →Conformations of 1,5-hexadiene
- 15:1015:10, 29 October 2013 diff hist +645 Rep:Mod:complabAC93 →Conformations of 1,5-hexadiene
- 14:5414:54, 29 October 2013 diff hist 0 Rep:Mod:complabAC93 →Conformations of 1,5-hexadiene
- 14:5214:52, 29 October 2013 diff hist +86 Rep:Mod:complabAC93 →Conformations of 1,5-hexadiene
- 14:4614:46, 29 October 2013 diff hist +688 Rep:Mod:complabAC93 →Second Optimisation: Using a Higher Basis Set
- 14:0114:01, 29 October 2013 diff hist +592 Rep:Mod:complabAC93 →Discussion on the relative stabilities of the Transition States
- 14:0014:00, 29 October 2013 diff hist +23,465 Rep:Mod:complabAC93 →Computing Activation Energies
- 13:5913:59, 29 October 2013 diff hist +43,830 N Rep:Mod:complabAC93 Created page with "= The Cope Rearrangement = The first part of this project involved studying the chemical reactivity of the Cope rearrangement of 1,5-hexadiene. More specifically the low-energy ..."
- 13:2213:22, 29 October 2013 diff hist 0 N File:OPTIMISATION 1 5 HEXADIENE ANTI 2 631GD FREQ ALIX CHANGING T6.LOG No edit summary current
- 13:2013:20, 29 October 2013 diff hist 0 N File:OPTIMISATION 1 5 HEXADIENE ANTI 2 631GD FREQ ALIX CHANGING T5.LOG No edit summary current
- 13:0913:09, 29 October 2013 diff hist 0 N File:OPTIMISATION 1 5 HEXADIENE ANTI 2 631GD FREQ ALIX CHANGING T3.LOG No edit summary current
- 13:0913:09, 29 October 2013 diff hist 0 N File:OPTIMISATION 1 5 HEXADIENE ANTI 2 631GD FREQ ALIX CHANGING T2.LOG No edit summary current