User contributions for Cjc415
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6 March 2018
- 17:3917:39, 6 March 2018 diff hist 0 Rep:Mod:cjc415 jmol →Exercise 2
- 17:3717:37, 6 March 2018 diff hist +1,444 Rep:Mod:cjc415 jmol →Exercise 2
- 17:3517:35, 6 March 2018 diff hist 0 N File:CJC415 Ex2 ENDO TS B3LYP.LOG No edit summary current
- 17:2117:21, 6 March 2018 diff hist 0 Rep:Mod:cjc415 jmol →Exercise 2
- 17:0817:08, 6 March 2018 diff hist +1,441 Rep:Mod:cjc415 jmol →Exercise 2
- 17:0517:05, 6 March 2018 diff hist 0 N File:CJC415 Ex2 EXO TS B3LYP.LOG No edit summary current
- 17:0217:02, 6 March 2018 diff hist +163 Rep:Mod:cjc415 TS →Molecular orbitals
- 17:0117:01, 6 March 2018 diff hist −526 Rep:Mod:cjc415 TS →Molecular orbitals
- 16:5816:58, 6 March 2018 diff hist +526 Rep:Mod:cjc415 TS →Molecular orbitals
- 16:5416:54, 6 March 2018 diff hist +53 Rep:Mod:cjc415 TS →Molecular orbitals
- 16:3616:36, 6 March 2018 diff hist 0 Rep:Mod:cjc415 jmol →Exercise 2
- 16:3516:35, 6 March 2018 diff hist 0 Rep:Mod:cjc415 jmol →Exercise 1
- 16:3216:32, 6 March 2018 diff hist +16 Rep:Mod:cjc415 jmol →Exercise 1
- 16:3116:31, 6 March 2018 diff hist +8 Rep:Mod:cjc415 jmol →Exercise 1
- 16:3116:31, 6 March 2018 diff hist 0 N File:CJC415 Ex1 BUTADIENE MINIMISED UPDATED.LOG No edit summary current
- 15:3215:32, 6 March 2018 diff hist +866 Rep:Mod:cjc415 TS →Potential energy surfaces (PES)
- 14:5514:55, 6 March 2018 diff hist +38 Rep:Mod:cjc415 TS →Introduction
26 January 2018
- 21:0121:01, 26 January 2018 diff hist +283 Rep:Mod:cjc415 TS →What is a transition state?
- 20:5220:52, 26 January 2018 diff hist +64 Rep:Mod:cjc415 TS →Introduction
- 20:4620:46, 26 January 2018 diff hist +479 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 20:3920:39, 26 January 2018 diff hist +16 Rep:Mod:cjc415 TS →IRC paths
- 20:3920:39, 26 January 2018 diff hist +202 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 20:3820:38, 26 January 2018 diff hist +68 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 20:3520:35, 26 January 2018 diff hist +278 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 12:4012:40, 26 January 2018 diff hist +154 Rep:Mod:cjc415 TS →IRC paths
- 12:4012:40, 26 January 2018 diff hist 0 N File:CJC415 Ex3 CHELETROPIC TS.LOG No edit summary current
- 12:4012:40, 26 January 2018 diff hist 0 N File:CJC415 Ex3 CHELETROPIC PRODUCT.LOG No edit summary
- 12:3912:39, 26 January 2018 diff hist 0 N File:CJC415 Ex3 EXO TS.LOG No edit summary current
- 12:3812:38, 26 January 2018 diff hist 0 N File:CJC415 Ex3 EXO PRODUCT.LOG No edit summary
- 12:3812:38, 26 January 2018 diff hist +32 Rep:Mod:cjc415 TS →IRC paths
- 12:3712:37, 26 January 2018 diff hist 0 N File:CJC415 Ex3 ENDO TS.LOG No edit summary current
- 12:3612:36, 26 January 2018 diff hist +39 Rep:Mod:cjc415 TS →IRC paths
- 12:3612:36, 26 January 2018 diff hist 0 N File:CJC415 Ex3 ENDO PRODUCT.LOG No edit summary
- 12:3212:32, 26 January 2018 diff hist +16 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 12:3112:31, 26 January 2018 diff hist −7 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 12:3012:30, 26 January 2018 diff hist 0 N File:CJC415 Ex3 Cheletropic IRC movie.gif No edit summary current
- 12:2912:29, 26 January 2018 diff hist 0 N File:CJC415 Ex3 Exo IRC movie.gif No edit summary current
- 12:2812:28, 26 January 2018 diff hist 0 N File:CJC415 Ex3 Endo IRC movie.gif No edit summary current
- 12:2812:28, 26 January 2018 diff hist +28 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 12:2712:27, 26 January 2018 diff hist +202 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
25 January 2018
- 22:3722:37, 25 January 2018 diff hist +294 Rep:Mod:cjc415 TS →Calculating Energies
- 22:3022:30, 25 January 2018 diff hist +289 Rep:Mod:cjc415 TS →Molecular orbitals
- 22:2822:28, 25 January 2018 diff hist +325 Rep:Mod:cjc415 TS →Molecular orbitals
- 22:2322:23, 25 January 2018 diff hist +643 Rep:Mod:cjc415 TS →Bond lengths
- 22:1422:14, 25 January 2018 diff hist +134 Rep:Mod:cjc415 TS →Bond lengths
- 22:1122:11, 25 January 2018 diff hist +114 Rep:Mod:cjc415 TS →Molecular orbitals
- 22:1022:10, 25 January 2018 diff hist +8 Rep:Mod:cjc415 TS →Exercise 2: Reaction of Cyclohexadiene and 1,3-Dioxole
- 22:0722:07, 25 January 2018 diff hist +660 Rep:Mod:cjc415 TS →Molecular orbitals
- 22:0122:01, 25 January 2018 diff hist 0 Rep:Mod:cjc415 jmol →Exercise 2
- 21:5521:55, 25 January 2018 diff hist +1 Rep:Mod:cjc415 TS →Calculating Energies