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User contributions for Hw2413

Results for Hw2413 talk block log uploads logs

A user with 751 edits. Account created on 19 October 2013.

17:5817:58, 3 December 2015 diff hist 0 N File:Endo exo chemdraw.PNG No edit summary current
17:4217:42, 3 December 2015 diff hist +207 Rep:Mod:Hayley Weir Transition states and reactivity →ethylene + cis butadiene transition structure
17:1717:17, 3 December 2015 diff hist +482 Rep:Mod:Hayley Weir Transition states and reactivity →ethylene + cis butadiene transition structure
16:4816:48, 3 December 2015 diff hist +13 Rep:Mod:Hayley Weir Transition states and reactivity endo exo No edit summary
16:4716:47, 3 December 2015 diff hist +114 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
16:4016:40, 3 December 2015 diff hist +548 Rep:Mod:Hayley Weir Transition states and reactivity →ethylene + cis butadiene transition structure
16:2816:28, 3 December 2015 diff hist +140 Rep:Mod:Hayley Weir Transition states and reactivity →ethylene + cis butadiene transition structure
16:2416:24, 3 December 2015 diff hist +794 N Rep:Mod:Hayley Weir Transition states and reactivity DA TS HOMO LUMO 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 anti..."
16:1816:18, 3 December 2015 diff hist +83 Rep:Mod:Hayley Weir Transition states and reactivity →cis butadiene
16:1516:15, 3 December 2015 diff hist +263 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
16:1216:12, 3 December 2015 diff hist −5 Rep:Mod:Hayley Weir Transition states and reactivity endo exo No edit summary
16:0416:04, 3 December 2015 diff hist −59 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
16:0416:04, 3 December 2015 diff hist +547 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
15:5115:51, 3 December 2015 diff hist −218 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
15:5015:50, 3 December 2015 diff hist +6 Rep:Mod:Hayley Weir Transition states and reactivity HOMO ENDO EXO No edit summary
15:4815:48, 3 December 2015 diff hist 0 N File:OPT TS ENDO AM1 orb.LOG No edit summary current
15:4315:43, 3 December 2015 diff hist +732 N Rep:Mod:Hayley Weir Transition states and reactivity HOMO ENDO EXO Created page with "<jmol> <jmolApplet> <color>white</color> <size>500</size> <script>rotate x 90; rotate y 45;frame 6; mo 34; mo nodots nomesh fill translucent; mo titleformat ""; set antial..."
15:3815:38, 3 December 2015 diff hist 0 File:OPT TS ENDO AM1.LOG Hw2413 uploaded a new version of File:OPT TS ENDO AM1.LOG current
15:3415:34, 3 December 2015 diff hist 0 N File:OPT TS EXO AM1 FINAL.LOG No edit summary current
15:3215:32, 3 December 2015 diff hist +372 Rep:Mod:Hayley Weir Transition states and reactivity →iii) Studying regioselectivity of the Diels Alder Reaction
14:4314:43, 3 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity endo exo No edit summary
14:4214:42, 3 December 2015 diff hist +654 Rep:Mod:Hayley Weir Transition states and reactivity endo exo No edit summary
14:4014:40, 3 December 2015 diff hist 0 N File:OPT TS ENDO AM1 IRC.LOG No edit summary current
14:3914:39, 3 December 2015 diff hist 0 N File:OPT MIN EXO AM1 IRC.LOG No edit summary current
14:3814:38, 3 December 2015 diff hist 0 N File:IRC EXO.PNG No edit summary current
14:3614:36, 3 December 2015 diff hist 0 N File:IRC ENDO.PNG No edit summary current
14:2814:28, 3 December 2015 diff hist +14 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
14:2814:28, 3 December 2015 diff hist +14 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
14:2314:23, 3 December 2015 diff hist +67 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
14:2014:20, 3 December 2015 diff hist +35 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
14:1714:17, 3 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity HOMO GAUCHE3 No edit summary
14:1614:16, 3 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity No edit summary
14:1314:13, 3 December 2015 diff hist +240 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
14:0914:09, 3 December 2015 diff hist +98 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
14:0714:07, 3 December 2015 diff hist +453 Rep:Mod:Hayley Weir Transition states and reactivity →g) Calculation of Activation Energies

15:2215:22, 2 December 2015 diff hist +160 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
15:2015:20, 2 December 2015 diff hist 0 File:Boat ts qst2 final freq.PNG Hw2413 uploaded a new version of File:Boat ts qst2 final freq.PNG current
15:1915:19, 2 December 2015 diff hist +27 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
15:1615:16, 2 December 2015 diff hist +35 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
15:0615:06, 2 December 2015 diff hist +74 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
15:0215:02, 2 December 2015 diff hist 0 File:BOAT-TS-QST2.LOG Hw2413 uploaded a new version of File:BOAT-TS-QST2.LOG current
14:5814:58, 2 December 2015 diff hist 0 N File:Input boat qst2.PNG No edit summary current
14:4614:46, 2 December 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
14:4314:43, 2 December 2015 diff hist +24 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
14:4314:43, 2 December 2015 diff hist +745 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
14:4114:41, 2 December 2015 diff hist 0 N File:Modredundant freq.PNG No edit summary current
14:3414:34, 2 December 2015 diff hist +43 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
14:2814:28, 2 December 2015 diff hist −42 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
14:2314:23, 2 December 2015 diff hist +73 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
14:2114:21, 2 December 2015 diff hist +57 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method

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