User contributions for Ki514
Appearance
17 May 2019
- 23:3023:30, 17 May 2019 diff hist −5 Rep:Mod:KIR9876 →Item table (in pre tags) from the *.log file (from the optimisation job)
- 23:2223:22, 17 May 2019 diff hist 0 N File:KIRABH3FREQUENCY.ogg No edit summary current
- 23:2123:21, 17 May 2019 diff hist +4 Rep:Mod:KIR9876 →Link to the frequency and/or population analysis files
- 23:1923:19, 17 May 2019 diff hist 0 N File:BH3KIRASUMMARY.png No edit summary current
- 23:1823:18, 17 May 2019 diff hist −1 Rep:Mod:KIR9876 →Summary table produced by Gaussview (after optimisation)
- 23:1623:16, 17 May 2019 diff hist +14 Rep:Mod:KIR9876 →Low frequencies data (in pre tags) from the *.log file (from the frequency job)
- 23:1223:12, 17 May 2019 diff hist +10 Rep:Mod:KIR9876 →Link to the frequency and/or population analysis files
- 23:1123:11, 17 May 2019 diff hist +16 Rep:Mod:KIR9876 →Item table (in pre tags) from the *.log file (from the optimisation job)
- 23:1023:10, 17 May 2019 diff hist 0 File:Sumtableni3kira.png Ki514 uploaded a new version of File:Sumtableni3kira.png current
- 23:0923:09, 17 May 2019 diff hist 0 N File:Sumtableni3kira.png No edit summary
- 23:0923:09, 17 May 2019 diff hist +15 Rep:Mod:KIR9876 →Summary table produced by Gaussview (after optimisation)
- 23:0723:07, 17 May 2019 diff hist +2 Rep:Mod:KIR9876 No edit summary
- 06:5206:52, 17 May 2019 diff hist −14 CP3MD →Trajectories from r1 = rts+δ, r2 = rts[edit | edit source] Tag: Visual edit
- 06:4506:45, 17 May 2019 diff hist +487 CP3MD No edit summary Tag: Visual edit
- 06:3906:39, 17 May 2019 diff hist −493 CP3MD →Trajectories from r1 = rts+δ, r2 = rts
- 06:3106:31, 17 May 2019 diff hist −228 MRD:KI5432 →Trajectories from r1 = r2: locating the ts
- 06:1606:16, 17 May 2019 diff hist +32 MRD:KI5432 No edit summary
- 06:0406:04, 17 May 2019 diff hist +203 Rep:Mod:KIR9876 →Analysis of second MOː
- 06:0206:02, 17 May 2019 diff hist +112 Rep:Mod:KIR9876 →Analysis of first MOː
- 06:0006:00, 17 May 2019 diff hist −8 Rep:Mod:KIR9876 →Analysis of second MOː
- 05:5805:58, 17 May 2019 diff hist −1 Rep:Mod:KIR9876 →Analysis of first MOː
- 05:5705:57, 17 May 2019 diff hist +190 Rep:Mod:KIR9876 →Analysis of second MOː
- 05:5205:52, 17 May 2019 diff hist −342 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:
- 05:5105:51, 17 May 2019 diff hist −2 Rep:Mod:KIR9876 →Energies:
- 05:4905:49, 17 May 2019 diff hist +2 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:
- 05:4805:48, 17 May 2019 diff hist −4 Rep:Mod:KIR9876 →Energies:
- 05:4505:45, 17 May 2019 diff hist −2,576 Rep:Mod:KIR9876 →Determine the dissociation energy for the lowest energy conformer into 2AlCl2Br:
- 05:3505:35, 17 May 2019 diff hist +47 Rep:Mod:KIR9876 →Rotatable 3d jmol file/image of the optimised structure
- 05:3005:30, 17 May 2019 diff hist +198 Rep:Mod:KIR9876 →MOs of BH3
- 05:2005:20, 17 May 2019 diff hist −808 Rep:Mod:KIR9876 No edit summary
- 05:1505:15, 17 May 2019 diff hist 0 N File:HOMO -10 KIRA ANNOTATEDversion.png No edit summary current
- 05:1405:14, 17 May 2019 diff hist +6 Rep:Mod:KIR9876 →Analysis of first MOː
- 05:0705:07, 17 May 2019 diff hist +35 Rep:Mod:KIR9876 →Analysis of second MOː
- 04:5704:57, 17 May 2019 diff hist −1,385 MRD:KI5432 →Reaction dynamics
- 04:5104:51, 17 May 2019 diff hist +500 MRD:KI5432 No edit summary
- 04:5104:51, 17 May 2019 diff hist −782 MRD:KI5432 →Reaction dynamics
- 04:5004:50, 17 May 2019 diff hist −135 MRD:KI5432 →Reaction dynamics
- 04:4704:47, 17 May 2019 diff hist 0 N File:Kiraanim1.png No edit summary current
- 04:4604:46, 17 May 2019 diff hist 0 N File:Kiraanim.png No edit summary current
- 04:4504:45, 17 May 2019 diff hist +72 MRD:KI5432 →Reaction dynamics
- 04:4004:40, 17 May 2019 diff hist +22 MRD:KI5432 →EXERCISE 2: F - H - H system
- 04:3704:37, 17 May 2019 diff hist −12,273 MRD:KI5432 No edit summary
- 04:3204:32, 17 May 2019 diff hist 0 N File:Kiraactivation2.PNG No edit summary current
- 04:3104:31, 17 May 2019 diff hist 0 N File:Kiraactivation.PNG No edit summary current
- 04:3004:30, 17 May 2019 diff hist −239 MRD:KI5432 →EXERCISE 2: F - H - H system
- 04:2204:22, 17 May 2019 diff hist −525 MRD:KI5432 →Kinetics/reaction dynamics
- 04:2104:21, 17 May 2019 diff hist 0 N File:Kirapoten1.PNG No edit summary current
- 04:2004:20, 17 May 2019 diff hist 0 N File:Kirapoten.PNG No edit summary current
- 04:1904:19, 17 May 2019 diff hist +9 MRD:KI5432 →EXERCISE 2: F - H - H system
- 04:1304:13, 17 May 2019 diff hist 0 MRD:KI5432 →EXERCISE 2: F - H - H system