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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.

20:3620:36, 30 November 2015 diff hist 0 N File:TS OPT AM1 IRC.LOG No edit summary current
20:3420:34, 30 November 2015 diff hist 0 File:TS IRC.PNG Hw2413 uploaded a new version of File:TS IRC.PNG current
20:2720:27, 30 November 2015 diff hist −13 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:2520:25, 30 November 2015 diff hist +26 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:2320:23, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:2120:21, 30 November 2015 diff hist +749 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0920:09, 30 November 2015 diff hist −3 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0720:07, 30 November 2015 diff hist +27 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0620:06, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0520:05, 30 November 2015 diff hist +8 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0420:04, 30 November 2015 diff hist +53 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0120:01, 30 November 2015 diff hist +441 Rep:Mod:Hayley Weir Transition states and reactivity →ii) Optimization of transition state
20:0120:01, 30 November 2015 diff hist 0 N File:TS OPT AM1.LOG No edit summary current
20:0020:00, 30 November 2015 diff hist 0 File:ETHENE OPT AM1.LOG Hw2413 uploaded a new version of File:ETHENE OPT AM1.LOG current
19:5519:55, 30 November 2015 diff hist +25 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5419:54, 30 November 2015 diff hist +1 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5419:54, 30 November 2015 diff hist +13 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5319:53, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5319:53, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5219:52, 30 November 2015 diff hist −35 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:5219:52, 30 November 2015 diff hist −13 Rep:Mod:Hayley Weir Transition states and reactivity →i) Optimization of butadiene
19:4619:46, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →f) Intrinsic Reaction Coordinate
19:4619:46, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4519:45, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4519:45, 30 November 2015 diff hist −13 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4419:44, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4419:44, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4319:43, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4219:42, 30 November 2015 diff hist −12 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4219:42, 30 November 2015 diff hist +348 Rep:Mod:Hayley Weir Transition states and reactivity →e) Optimization of boat transition state using QST2 method
19:4119:41, 30 November 2015 diff hist 0 N File:BOAT-TS-QST2-TRY2.LOG No edit summary current
19:3919:39, 30 November 2015 diff hist 0 File:BOAT-TS-QST2.LOG Hw2413 uploaded a new version of File:BOAT-TS-QST2.LOG
19:3819:38, 30 November 2015 diff hist +223 Rep:Mod:Hayley Weir Transition states and reactivity →d) Unfreezing bonds of chair TS and re optimizing to transition state
19:3819:38, 30 November 2015 diff hist −223 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3519:35, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3519:35, 30 November 2015 diff hist +223 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3519:35, 30 November 2015 diff hist 0 N File:CHAIR TS HF-321G MODREDUNDANT DERIVATIVE.LOG No edit summary current
19:3419:34, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3419:34, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3319:33, 30 November 2015 diff hist +1 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3319:33, 30 November 2015 diff hist +7 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3219:32, 30 November 2015 diff hist +158 Rep:Mod:Hayley Weir Transition states and reactivity →c) Optimization of chair TS using frozen coordinate method
19:3219:32, 30 November 2015 diff hist 0 N File:CHAIR TS HF-321G MODREDUNDANT.LOG No edit summary current
19:2519:25, 30 November 2015 diff hist −39 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
19:2419:24, 30 November 2015 diff hist +12 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
19:2319:23, 30 November 2015 diff hist +1 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
19:2319:23, 30 November 2015 diff hist +200 Rep:Mod:Hayley Weir Transition states and reactivity →b) Optimization of chair TS
19:2319:23, 30 November 2015 diff hist 0 File:CHAIR TS HF-321G.LOG Hw2413 uploaded a new version of File:CHAIR TS HF-321G.LOG current
19:1919:19, 30 November 2015 diff hist +8 Rep:Mod:Hayley Weir Transition states and reactivity →f) Reoptimization of anti2
19:1819:18, 30 November 2015 diff hist 0 Rep:Mod:Hayley Weir Transition states and reactivity →Anti2

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