User contributions for Ql2415
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21 November 2017
- 13:1213:12, 21 November 2017 diff hist 0 N File:Lqe ex2 exo mo 3.png No edit summary current
- 13:1013:10, 21 November 2017 diff hist 0 N File:Lqe ex2 endo MO 2.png No edit summary current
- 13:0913:09, 21 November 2017 diff hist 0 Rep:Mod:1012017 →Optimisation to PM6 Level
- 13:0713:07, 21 November 2017 diff hist +206 Rep:Mod:1012017 →Optimisation to PM6 Level
- 13:0713:07, 21 November 2017 diff hist 0 N File:LQE EX3 exo BB TS PM6 3.LOG No edit summary current
- 13:0513:05, 21 November 2017 diff hist 0 N File:LQE EX3 EXO PRODUCT PM6 MIN.LOG No edit summary current
- 13:0413:04, 21 November 2017 diff hist +100 Rep:Mod:1012017 →Reaction Profile
- 13:0313:03, 21 November 2017 diff hist 0 N File:LQE EX3 energy profile.png No edit summary current
- 12:2112:21, 21 November 2017 diff hist +17 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 12:1812:18, 21 November 2017 diff hist +65 Rep:Mod:1012017 →Visualise the reaction coordinate with an IRC calculation
- 12:1412:14, 21 November 2017 diff hist 0 N File:Lqe ex3 exo IRC.PNG No edit summary current
- 12:1312:13, 21 November 2017 diff hist 0 N File:Ex3 exo irc movie.gif No edit summary current
- 12:0712:07, 21 November 2017 diff hist −26 Rep:Mod:1012017 →Reaction Energies and Barriers
- 12:0312:03, 21 November 2017 diff hist +46 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 11:5211:52, 21 November 2017 diff hist −4 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:4011:40, 21 November 2017 diff hist 0 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:4011:40, 21 November 2017 diff hist 0 N File:LQE XY 2 MIN PM6.LOG No edit summary current
- 11:3911:39, 21 November 2017 diff hist +30 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 11:2911:29, 21 November 2017 diff hist +23 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:2311:23, 21 November 2017 diff hist 0 N File:LQE EX3 ENDO TS PM6.LOG No edit summary current
- 11:2311:23, 21 November 2017 diff hist +13 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 11:1911:19, 21 November 2017 diff hist +10 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 11:1511:15, 21 November 2017 diff hist +193 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:1311:13, 21 November 2017 diff hist 0 N File:ENDO PRODUCT MIN PM6.LOG No edit summary current
- 11:0911:09, 21 November 2017 diff hist +170 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:0711:07, 21 November 2017 diff hist +210 Rep:Mod:1012017 →Optimisation to PM6 Level
- 11:0711:07, 21 November 2017 diff hist 0 N File:LQE PRODUCT MIN PM6.LOG No edit summary current
- 11:0511:05, 21 November 2017 diff hist +13 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 11:0011:00, 21 November 2017 diff hist +46 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 10:4810:48, 21 November 2017 diff hist +55 Rep:Mod:1012017 →Visualise the reaction coordinate with an IRC calculation
- 10:3810:38, 21 November 2017 diff hist 0 N File:Lqe chele irc.PNG No edit summary current
- 10:3710:37, 21 November 2017 diff hist 0 N File:Lqe-endo IRC.PNG No edit summary current
- 10:3610:36, 21 November 2017 diff hist 0 File:Lqe ex3 chele irc movie.gif Ql2415 uploaded a new version of File:Lqe ex3 chele irc movie.gif current
- 10:3610:36, 21 November 2017 diff hist 0 N File:Lqe ex3 chele irc movie.gif No edit summary
- 10:3310:33, 21 November 2017 diff hist 0 File:Ex3 endo irc movie.gif Ql2415 uploaded a new version of File:Ex3 endo irc movie.gif current
- 10:3010:30, 21 November 2017 diff hist +35 Rep:Mod:1012017 →Visualise the reaction coordinate with an IRC calculation
- 10:2910:29, 21 November 2017 diff hist 0 N File:Lqe ex3 exo irc movie.gif No edit summary current
- 10:2710:27, 21 November 2017 diff hist +17 Rep:Mod:1012017 →Visualise the reaction coordinate with an IRC calculation
- 10:2510:25, 21 November 2017 diff hist 0 N File:Ex3 endo irc movie.gif No edit summary
- 03:0703:07, 21 November 2017 diff hist +12 Rep:Mod:1012017 →Transition States and reactivity
- 03:0503:05, 21 November 2017 diff hist +34 Rep:Mod:1012017 →Introduction
- 03:0403:04, 21 November 2017 diff hist +22 Rep:Mod:1012017 →Transition States and reactivity
- 03:0303:03, 21 November 2017 diff hist −2 Rep:Mod:1012017 →Conclusion
- 03:0203:02, 21 November 2017 diff hist +42 Rep:Mod:1012017 →Exercise 3: Diels-Alder vs Cheletropic
- 03:0103:01, 21 November 2017 diff hist +28 Rep:Mod:1012017 →Exercise 3: Diels-Alder vs Cheletropic
- 03:0003:00, 21 November 2017 diff hist +510 Rep:Mod:1012017 →Activation Barrier and Reaction Energy
- 02:5302:53, 21 November 2017 diff hist +438 Rep:Mod:1012017 →Exercise 3: Diels-Alder vs Cheletropic
- 02:4502:45, 21 November 2017 diff hist +57 Rep:Mod:1012017 →Experimental
- 02:4402:44, 21 November 2017 diff hist +1,096 Rep:Mod:1012017 →Experimental
- 01:5801:58, 21 November 2017 diff hist +236 Rep:Mod:1012017 →Optimisation to PM6 Level