User contributions for Tw2115

19 November 2017

• 15:4115:41, 19 November 2017 diff hist 0 N File:TW2115 OPT ex3 exo OPTIMISE TO BERNY.LOG No edit summary current
• 15:4015:40, 19 November 2017 diff hist 0 N File:TW2115 ex3 exo opt of ts to min.LOG No edit summary current
• 15:3915:39, 19 November 2017 diff hist +1,963 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 15:1515:15, 19 November 2017 diff hist 0 N File:TW2115 optimise guess product.LOG No edit summary current
• 15:1315:13, 19 November 2017 diff hist 0 N File:TW2115 OPT HEXADIENE BLY.LOG No edit summary current
• 15:1215:12, 19 November 2017 diff hist 0 N File:TW2115 opt of HEXADIENE PM6.LOG No edit summary current
• 15:1115:11, 19 November 2017 diff hist 0 N File:Tw2115 dioxole optimised to BLY.LOG No edit summary current
• 15:0915:09, 19 November 2017 diff hist 0 N File:Tw2115 endo product of IRC at B3LYP.LOG No edit summary current
• 15:0815:08, 19 November 2017 diff hist 0 N File:TW2115 ENDO PRODUCT OF IRC PM6.LOG No edit summary current
• 15:0615:06, 19 November 2017 diff hist 0 N File:TW2115 IRC Reactants Endo SPE.LOG No edit summary current
• 15:0515:05, 19 November 2017 diff hist 0 N File:TW2115 IRC of endo ex 2.LOG No edit summary current
• 15:0415:04, 19 November 2017 diff hist 0 N File:Tw2115 opt transition to B3LYP.LOG No edit summary current
• 15:0215:02, 19 November 2017 diff hist 0 N File:TW2115 Opt Endo to Ts Berny PM6.LOG No edit summary current
• 15:0015:00, 19 November 2017 diff hist 0 N File:Tw2115 Ex 2 Endo first opt to min.LOG No edit summary current
• 14:5814:58, 19 November 2017 diff hist 0 N File:Tw2115 Exo Ex2 IRC product B3LYP.LOG No edit summary current
• 14:5614:56, 19 November 2017 diff hist 0 N File:Tw2115 Ex2 EXo IRC product optimised PM6.LOG No edit summary current
• 14:5514:55, 19 November 2017 diff hist 0 N File:TW2115 Ex2 Exo reactants SPE.LOG No edit summary current
• 14:5314:53, 19 November 2017 diff hist 0 N File:Tw2115 IRC Ex2 EXO.LOG No edit summary current
• 14:5214:52, 19 November 2017 diff hist 0 N File:Tw2115 Ex1 Exo TS B3LYP.LOG No edit summary current
• 14:5014:50, 19 November 2017 diff hist 0 N File:TW2115 optimisation to TS Berny.LOG No edit summary current
• 14:4814:48, 19 November 2017 diff hist 0 N File:TW2115 Ex2 Exo opt to min.LOG No edit summary current
• 14:4014:40, 19 November 2017 diff hist +512 Rep:Mod:tw2115transitionstate2017 →Exercise 1. Tag: Visual edit
• 14:3814:38, 19 November 2017 diff hist 0 N File:TW2115 IRC product opt.LOG No edit summary current
• 14:3614:36, 19 November 2017 diff hist 0 N File:TW2115 Reactants of IRC opt.LOG No edit summary current
• 14:3514:35, 19 November 2017 diff hist 0 N File:TW2115 IRC Ex1.LOG No edit summary current
• 14:3214:32, 19 November 2017 diff hist 0 N File:TW2115 optimise to Berny TS.LOG No edit summary current
• 14:3114:31, 19 November 2017 diff hist 0 N File:TW2115 First optimisation of TS to minimum.LOG No edit summary current
• 14:2714:27, 19 November 2017 diff hist +161 Rep:Mod:tw2115transitionstate2017 →Appendix Tag: Visual edit
• 14:2614:26, 19 November 2017 diff hist 0 N File:Tw2115 Butadiene Optimisation PM6.LOG No edit summary current
• 14:2214:22, 19 November 2017 diff hist +4 Rep:Mod:tw2115transitionstate2017 →Thermochemistry Tag: Visual edit
• 14:2014:20, 19 November 2017 diff hist +43 Rep:Mod:tw2115transitionstate2017 →MO Theory Tag: Visual edit
• 14:1914:19, 19 November 2017 diff hist +4,718 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 13:4613:46, 19 November 2017 diff hist 0 N File:Tw2115electrocyclitransitionstateconrotatory45.jpg No edit summary current
• 13:2813:28, 19 November 2017 diff hist 0 N File:IRC of electrocyclic bond formation tw2115 tslab.gif No edit summary current
• 13:2313:23, 19 November 2017 diff hist 0 N File:Tw2115electrocyclitransitionstate45.jpg No edit summary current
• 13:0413:04, 19 November 2017 diff hist 0 N File:Extensiontw2115electrocyclicthingy.png No edit summary current
• 12:5412:54, 19 November 2017 diff hist +103 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 12:3712:37, 19 November 2017 diff hist +57 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 12:1612:16, 19 November 2017 diff hist +5,693 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit

18 November 2017

• 23:2423:24, 18 November 2017 diff hist +1,523 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 23:2323:23, 18 November 2017 diff hist 0 N File:Gifofoptimisingtheproducttw215thomaswebb.gif No edit summary current
• 23:2023:20, 18 November 2017 diff hist 0 N File:Diene optimise tw2115 gif.gif No edit summary current
• 23:0023:00, 18 November 2017 diff hist +624 Rep:Mod:tw2115transitionstate2017 →Introduction Tag: Visual edit
• 22:5322:53, 18 November 2017 diff hist +1,553 Rep:Mod:tw2115transitionstate2017 →Finding a transition state Tag: Visual edit
• 22:4322:43, 18 November 2017 diff hist +365 Rep:Mod:tw2115transitionstate2017 →Bond Lengths Tag: Visual edit
• 22:4022:40, 18 November 2017 diff hist +96 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 22:3722:37, 18 November 2017 diff hist +1,564 Rep:Mod:tw2115transitionstate2017 →Bond Lengths Tag: Visual edit
• 22:3622:36, 18 November 2017 diff hist 0 N File:Tw2115tw2115exscerciseExcercise 1 gif.gif No edit summary current
• 21:4721:47, 18 November 2017 diff hist +168 Rep:Mod:tw2115transitionstate2017 No edit summary Tag: Visual edit
• 21:4221:42, 18 November 2017 diff hist 0 N File:Tw2115thomaswebbAtom labelling.jpg No edit summary current