User contributions for Hw2413
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30 November 2015
- 19:1819:18, 30 November 2015 diff hist +9 Rep:Mod:Hayley Weir Transition states and reactivity →Anti2
- 19:1719:17, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →Anti1 (lowest energy conformer) https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3_appendix1
- 19:1719:17, 30 November 2015 diff hist −3 Rep:Mod:Hayley Weir Transition states and reactivity →Anti1 (lowest energy conformer) https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3_appendix1
- 19:1719:17, 30 November 2015 diff hist −3 Rep:Mod:Hayley Weir Transition states and reactivity →Anti1 (lowest energy conformer) https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3_appendix1
- 19:1619:16, 30 November 2015 diff hist −27 Rep:Mod:Hayley Weir Transition states and reactivity →Gauche 1,5 hexadiene
- 19:1619:16, 30 November 2015 diff hist +11 Rep:Mod:Hayley Weir Transition states and reactivity →Gauche 1,5 hexadiene
- 19:1519:15, 30 November 2015 diff hist −26 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1519:15, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1519:15, 30 November 2015 diff hist −14 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1419:14, 30 November 2015 diff hist +27 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1319:13, 30 November 2015 diff hist −13 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1219:12, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 19:1219:12, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →Anti periplanar 1,5 hexadiene
- 18:5318:53, 30 November 2015 diff hist −22 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
- 18:4418:44, 30 November 2015 diff hist +21 Rep:Mod:Hayley Weir Transition states and reactivity →a) Optimization of allyl fragment and guess transition state
- 18:4318:43, 30 November 2015 diff hist +9 Rep:Mod:Hayley Weir Transition states and reactivity →a) Optimization of allyl fragment and guess transition state
- 18:4218:42, 30 November 2015 diff hist +227 Rep:Mod:Hayley Weir Transition states and reactivity →a) Optimization of allyl fragment and guess transition state
- 18:4218:42, 30 November 2015 diff hist 0 N File:CHAIR TS HF-321G.LOG No edit summary
- 18:4018:40, 30 November 2015 diff hist +106 Rep:Mod:Hayley Weir Transition states and reactivity →a) Optimization of allyl fragment and guess transition state
- 18:3818:38, 30 November 2015 diff hist 0 N File:ALLYL HF-321G OPT.LOG No edit summary current
- 18:3718:37, 30 November 2015 diff hist +2 Rep:Mod:Hayley Weir Transition states and reactivity →g) Frequency analysis of anti2
- 18:3618:36, 30 November 2015 diff hist −1 Rep:Mod:Hayley Weir Transition states and reactivity →g) Frequency analysis of anti2
- 18:3518:35, 30 November 2015 diff hist +2 Rep:Mod:Hayley Weir Transition states and reactivity →g) Frequency analysis of anti2
- 18:3518:35, 30 November 2015 diff hist −23 Rep:Mod:Hayley Weir Transition states and reactivity →g) Frequency analysis of anti2
- 18:3218:32, 30 November 2015 diff hist +18 Rep:Mod:Hayley Weir Transition states and reactivity →g) Frequency analysis of anti2
- 18:3118:31, 30 November 2015 diff hist −24 Rep:Mod:Hayley Weir Transition states and reactivity →f) Reoptimization of anti2
- 18:3118:31, 30 November 2015 diff hist −11 Rep:Mod:Hayley Weir Transition states and reactivity →Anti2
- 18:3118:31, 30 November 2015 diff hist −43 Rep:Mod:Hayley Weir Transition states and reactivity →Anti2
- 18:3018:30, 30 November 2015 diff hist +30 Rep:Mod:Hayley Weir Transition states and reactivity →Anti2
- 18:2818:28, 30 November 2015 diff hist −13 Rep:Mod:Hayley Weir Transition states and reactivity →Anti1 (lowest energy conformer) https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3_appendix1
- 18:2718:27, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →Anti1 (lowest energy conformer) https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3_appendix1
- 18:2718:27, 30 November 2015 diff hist +665 Rep:Mod:Hayley Weir Transition states and reactivity →The Cope Rearrangement Tutorial
- 18:2718:27, 30 November 2015 diff hist 0 N File:ANTI2 FREQB3LYP-631GD.LOG No edit summary current
- 18:2518:25, 30 November 2015 diff hist 0 N File:ANTI2 OPTB3LYP-631GD.LOG No edit summary current
- 18:2518:25, 30 November 2015 diff hist 0 N File:ANTI2 OPT HF 3-21G.LOG No edit summary current
- 18:2318:23, 30 November 2015 diff hist 0 N File:GAUCHE3 OPT HF 3-21G.LOG No edit summary
- 18:2118:21, 30 November 2015 diff hist 0 N File:ANTI1 OPT HF 3-21G.LOG No edit summary current
- 18:2118:21, 30 November 2015 diff hist 0 N File:GAUCHE OPT HF 3-21G.LOG No edit summary current
- 18:1518:15, 30 November 2015 diff hist 0 N File:APP OPT HF 3-21G.LOG No edit summary current
- 18:1318:13, 30 November 2015 diff hist +143 Rep:Mod:Hayley Weir Transition states and reactivity →Optimizing the Reactants and Products
- 17:4917:49, 30 November 2015 diff hist +633 Rep:Mod:Hayley Weir Transition states and reactivity →cis butadiene Tag: Visual edit: Switched
- 17:3917:39, 30 November 2015 diff hist +877 Rep:Mod:Hayley Weir Transition states and reactivity →Discussion Tag: Visual edit: Switched
- 17:3117:31, 30 November 2015 diff hist +806 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary Tag: Visual edit: Switched
- 17:3017:30, 30 November 2015 diff hist +21,406 N Rep:Mod:Hayley Weir Transition states and reactivity2 Created page with "This computation lab aims to explore the Cope Rearrangement and the Diels-Alder Reaction reaction pathways and transi..."
- 14:4214:42, 30 November 2015 diff hist +351 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary Tag: Visual edit
- 14:2614:26, 30 November 2015 diff hist +75 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary Tag: Visual edit
- 14:2514:25, 30 November 2015 diff hist −22 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary Tag: Visual edit
- 14:2314:23, 30 November 2015 diff hist −75 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
- 14:2214:22, 30 November 2015 diff hist +5 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
- 14:2114:21, 30 November 2015 diff hist +359 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary Tag: Visual edit: Switched