User contributions for Ml6614

20 October 2016

• 20:3420:34, 20 October 2016 diff hist 0 N File:Product.png No edit summary
• 20:3320:33, 20 October 2016 diff hist 0 N File:Transitionstate.png No edit summary current
• 20:3120:31, 20 October 2016 diff hist 0 N File:Reactantstogether min.png No edit summary current
• 16:2916:29, 20 October 2016 diff hist −854 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 14:3214:32, 20 October 2016 diff hist 0 N File:LUMO exo minji.png No edit summary current
• 14:3114:31, 20 October 2016 diff hist 0 N File:HOMO exo minji.png No edit summary current
• 14:3014:30, 20 October 2016 diff hist 0 N File:LUMO endo minji.png No edit summary current
• 14:2814:28, 20 October 2016 diff hist 0 N File:HOMO endo minji.png No edit summary current
• 14:2614:26, 20 October 2016 diff hist 0 File:HOMO endo.png Ml6614 uploaded a new version of File:HOMO endo.png current
• 14:1614:16, 20 October 2016 diff hist 0 N File:Endo HOMO 2.tif No edit summary current
• 13:5313:53, 20 October 2016 diff hist 0 File:MO 3.png Ml6614 uploaded a new version of File:MO 3.png

19 October 2016

• 15:2615:26, 19 October 2016 diff hist +502 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 15:1615:16, 19 October 2016 diff hist 0 File:IRC energy gradient.png Ml6614 uploaded a new version of File:IRC energy gradient.png current
• 15:1515:15, 19 October 2016 diff hist 0 N File:Cheletropic reactants 2.png No edit summary current
• 15:1415:14, 19 October 2016 diff hist 0 N File:Cheletropic ts 2.png No edit summary current
• 15:1415:14, 19 October 2016 diff hist 0 N File:Cheletropic product 2.png No edit summary current
• 15:1315:13, 19 October 2016 diff hist 0 N File:IRC energy gradient.png No edit summary
• 15:1315:13, 19 October 2016 diff hist 0 N File:Diels-alder reactants 2.png No edit summary current
• 15:1215:12, 19 October 2016 diff hist 0 N File:Diels-alder ts 2.png No edit summary current
• 15:1215:12, 19 October 2016 diff hist 0 N File:Diels-alder product 2.png No edit summary current
• 14:4014:40, 19 October 2016 diff hist 0 N File:IRC gradient.png No edit summary current
• 14:4014:40, 19 October 2016 diff hist 0 File:IRC energy.png Ml6614 uploaded a new version of File:IRC energy.png
• 14:3914:39, 19 October 2016 diff hist 0 N File:Diels-alder reactant.png No edit summary current
• 14:3914:39, 19 October 2016 diff hist 0 N File:Diels-alder ts.png No edit summary current
• 14:3814:38, 19 October 2016 diff hist 0 N File:Diels-alder product.png No edit summary current

18 October 2016

• 19:2619:26, 18 October 2016 diff hist −11 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 17:4917:49, 18 October 2016 diff hist +12 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 17:4217:42, 18 October 2016 diff hist +49 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 17:3617:36, 18 October 2016 diff hist +1,649 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 17:3317:33, 18 October 2016 diff hist +11 N File:Exo ts wiki.log EXO_TS_WIKI current
• 16:3716:37, 18 October 2016 diff hist +10 N File:Exo ts 631g.log Opt_exo_TS current
• 16:3416:34, 18 October 2016 diff hist +16 N File:Opt endo ts wiki.log OPT_ENDO_TS_WIKI current

17 October 2016

• 16:5616:56, 17 October 2016 diff hist −19 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 16:5416:54, 17 October 2016 diff hist −1 Rep:Mod:TSML16 →= Min Ji Lee
• 16:5416:54, 17 October 2016 diff hist −1 Rep:Mod:TSML16 →Min Ji Lee
• 16:1916:19, 17 October 2016 diff hist +1 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 16:1216:12, 17 October 2016 diff hist −17 Rep:Mod:TSML16 →Changing bond lengths
• 16:1116:11, 17 October 2016 diff hist +2,565 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 15:5815:58, 17 October 2016 diff hist 0 N File:Bondlengths2.png No edit summary current
• 15:5415:54, 17 October 2016 diff hist 0 N File:C-C bonds.png No edit summary current
• 15:0015:00, 17 October 2016 diff hist +15 N File:OPT ETHENE WIKI.LOG ethene_minjilee current
• 14:5814:58, 17 October 2016 diff hist +18 N File:OPT BUTADIENE WIKI.LOG butadiene_minjilee current
• 14:4514:45, 17 October 2016 diff hist +59 N File:OPT REACTANTS WIKI 631G.LOG optimisation of butadiene and ethene at 631g level_minjilee current
• 14:3414:34, 17 October 2016 diff hist +55 N File:OPT TS WIKI 631G.LOG Transitionstate_optimisation_butandiene_ethene_MinjiLee current
• 14:2814:28, 17 October 2016 diff hist 0 File:MO 2.png Ml6614 uploaded a new version of File:MO 2.png
• 13:5813:58, 17 October 2016 diff hist +371 Rep:Mod:TSML16 →Year 3 Computational labs: Transition States and Reactivity
• 13:4213:42, 17 October 2016 diff hist 0 N File:OPT REACTANTS WIKI.LOG No edit summary current

14 October 2016

• 15:5815:58, 14 October 2016 diff hist +75 Rep:Mod:TSML16 No edit summary

13 October 2016

• 15:5715:57, 13 October 2016 diff hist 0 Rep:Mod:TSML16 No edit summary
• 15:5615:56, 13 October 2016 diff hist +592 N Rep:Mod:TSML16 Created page with "== Year 3 Computational labs: Transition states and reactivity == ==== Min Ji Lee ==== === Introduction === '''Minimum:''' The minimum is the lowest point on a potential ener..."