User contributions for Hw2413

1 December 2015

• 16:2916:29, 1 December 2015 diff hist +1,051 Rep:Mod:Hayley Weir Transition states and reactivity →Aims of section:
• 15:5115:51, 1 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 15:4815:48, 1 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
• 15:4715:47, 1 December 2015 diff hist −716 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
• 15:4715:47, 1 December 2015 diff hist +824 N Rep:Mod:Hayley Weir Transition states and reactivity BD HOMO LUMO Created page with "<jmol> <jmolApplet> <color>white</color> <size>500</size> <script>rotate x 90; rotate y 45; frame 2; mo 11; mo nodots nomesh fill translucent; mo titleformat ""; set antia..."
• 15:4515:45, 1 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 15:4315:43, 1 December 2015 diff hist −2 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 15:4015:40, 1 December 2015 diff hist −707 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 15:4015:40, 1 December 2015 diff hist +817 N Rep:Mod:Hayley Weir Transition states and reactivity DA TS Created page with " <jmol> <jmolApplet> <color>white</color> <size>500</size> <script>rotate x 90; rotate y 45; frame 64; mo 17; mo nodots nomesh fill translucent; mo titleformat ""; set..."
• 15:3815:38, 1 December 2015 diff hist −39 Rep:Mod:Hayley Weir Transition states and reactivity →Optimizing the Reactants and Products
• 15:3415:34, 1 December 2015 diff hist +64 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 15:2815:28, 1 December 2015 diff hist −1,877 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 15:2815:28, 1 December 2015 diff hist +1,984 N Rep:Mod:Hayley Weir Transition states and reactivity endo exo Created page with "{| class="wikitable" |+Endo and Exo transition states summary ! colspan="2" | !Structure !Imaginary frequency Vibration !Imaginary Frequency !Energy/ Hartree !new C -C bond le..."
• 15:1515:15, 1 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 15:1415:14, 1 December 2015 diff hist +18 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 15:1415:14, 1 December 2015 diff hist 0 N File:TS OPT AM1 OBRITALS.LOG No edit summary current
• 14:5114:51, 1 December 2015 diff hist +233 Rep:Mod:Hayley Weir Transition states and reactivity →g) Calculation of Activation Energies
• 14:4914:49, 1 December 2015 diff hist −2 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
• 14:4714:47, 1 December 2015 diff hist +136 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
• 14:2514:25, 1 December 2015 diff hist +161 Rep:Mod:Hayley Weir Transition states and reactivity →f) Reoptimization of anti2

30 November 2015

• 22:0122:01, 30 November 2015 diff hist −9 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:5221:52, 30 November 2015 diff hist −275 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:4121:41, 30 November 2015 diff hist +26 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3821:38, 30 November 2015 diff hist −96 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3621:36, 30 November 2015 diff hist +44 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3421:34, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3321:33, 30 November 2015 diff hist −26 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3121:31, 30 November 2015 diff hist +1 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:3021:30, 30 November 2015 diff hist +13 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:2221:22, 30 November 2015 diff hist +26 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:2221:22, 30 November 2015 diff hist −15 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:2121:21, 30 November 2015 diff hist +14 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:2021:20, 30 November 2015 diff hist −14 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1821:18, 30 November 2015 diff hist +28 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1721:17, 30 November 2015 diff hist −27 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1621:16, 30 November 2015 diff hist +2 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1421:14, 30 November 2015 diff hist +13 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1421:14, 30 November 2015 diff hist +14 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1321:13, 30 November 2015 diff hist −26 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1221:12, 30 November 2015 diff hist +1,637 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 21:1221:12, 30 November 2015 diff hist 0 N File:OPT TS EXO AM1.LOG No edit summary current
• 21:1221:12, 30 November 2015 diff hist 0 N File:OPT TS ENDO AM1.LOG No edit summary
• 21:1121:11, 30 November 2015 diff hist 0 N File:OPT MIN ENDO AM1.LOG No edit summary current
• 21:1121:11, 30 November 2015 diff hist 0 N File:OPT MIN EXO AM1.LOG No edit summary current
• 21:0521:05, 30 November 2015 diff hist +2 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
• 20:4220:42, 30 November 2015 diff hist +7 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 20:3820:38, 30 November 2015 diff hist +9 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 20:3820:38, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 20:3720:37, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
• 20:3620:36, 30 November 2015 diff hist +214 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state