User contributions for Jb3912
17 November 2014
- 14:2314:23, 17 November 2014 diff hist 0 Rep:Mod:bei1994 →Additional: Geometry comparison
- 14:2214:22, 17 November 2014 diff hist +1 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 14:2114:21, 17 November 2014 diff hist +1 Rep:Mod:bei1994 →Additional: Geometry comparison
- 14:2114:21, 17 November 2014 diff hist +1,229 Rep:Mod:bei1994 →Analysis of relative energies
- 13:5713:57, 17 November 2014 diff hist +361 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
16 November 2014
- 20:1520:15, 16 November 2014 diff hist 0 Rep:Mod:bei1994 →MO analysis
- 20:1020:10, 16 November 2014 diff hist 0 Rep:Mod:bei1994 →MO analysis
- 20:0920:09, 16 November 2014 diff hist +34 Rep:Mod:bei1994 →MO analysis
- 20:0620:06, 16 November 2014 diff hist −17 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 20:0320:03, 16 November 2014 diff hist +101 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 19:5919:59, 16 November 2014 diff hist +382 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 19:2619:26, 16 November 2014 diff hist −1 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 19:2419:24, 16 November 2014 diff hist +2 Rep:Mod:bei1994 →3rd Year Computational Lab - Inorganic module - Mini Project: Lewis Acids and Bases
- 19:2219:22, 16 November 2014 diff hist +1 Rep:Mod:bei1994 →Analysis of relative energies
- 19:2219:22, 16 November 2014 diff hist +1 Rep:Mod:bei1994 →Analysis of relative energies
- 19:2219:22, 16 November 2014 diff hist 0 Rep:Mod:bei1994 →Analysis of relative energies
- 18:5418:54, 16 November 2014 diff hist +221 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:5118:51, 16 November 2014 diff hist +65 Rep:Mod:bei1994 →Analysis of relative energies
- 18:4918:49, 16 November 2014 diff hist +14 Rep:Mod:bei1994 →Analysis of relative energies
- 18:4418:44, 16 November 2014 diff hist +19 Rep:Mod:bei1994 →3rd Year Computational Lab - Inorganic module - Mini Project: Lewis Acids and Bases
- 18:3918:39, 16 November 2014 diff hist +1,771 Rep:Mod:bei1994 →Analysis of relative energies
- 17:4517:45, 16 November 2014 diff hist 0 Rep:Mod:bei1994 →Analysis of relative energies
- 17:4517:45, 16 November 2014 diff hist +29 Rep:Mod:bei1994 →Analysis of relative energies
- 17:2617:26, 16 November 2014 diff hist +63 Rep:Mod:bei1994 →Analysis of relative energies
- 17:1817:18, 16 November 2014 diff hist +525 Rep:Mod:bei1994 →Analysis of relative energies
- 17:0817:08, 16 November 2014 diff hist +91 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 17:0517:05, 16 November 2014 diff hist +147 Rep:Mod:bei1994 →Analysis of relative energies
- 17:0217:02, 16 November 2014 diff hist −15 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 17:0017:00, 16 November 2014 diff hist +12 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:5916:59, 16 November 2014 diff hist +916 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:5916:59, 16 November 2014 diff hist 0 N File:JBao monomer jmol.mol No edit summary current
- 16:5716:57, 16 November 2014 diff hist 0 N File:JBao monomer optsummarytable.GIF No edit summary current
- 16:5016:50, 16 November 2014 diff hist −24 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:4916:49, 16 November 2014 diff hist −3 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:4716:47, 16 November 2014 diff hist +48 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:4716:47, 16 November 2014 diff hist 0 N File:JBao isomer4 1uBr jmol.mol No edit summary current
- 16:4616:46, 16 November 2014 diff hist 0 N File:JBao isomer4 1uBr table.GIF No edit summary current
- 16:4216:42, 16 November 2014 diff hist +50 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:4116:41, 16 November 2014 diff hist 0 N File:JBao isomer3 transBr mol.mol No edit summary current
- 16:3916:39, 16 November 2014 diff hist 0 N File:Jbao isomer3 transBr table.GIF No edit summary current
- 16:3516:35, 16 November 2014 diff hist +88 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:3516:35, 16 November 2014 diff hist 0 N File:JBao isomer2 cisBr mol.mol No edit summary current
- 16:3316:33, 16 November 2014 diff hist 0 N File:JBao isomer2 cisBrPic summarytable.GIF No edit summary current
- 16:2716:27, 16 November 2014 diff hist +21 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:2616:26, 16 November 2014 diff hist 0 N File:JBao isomer1 OPT.mol2 No edit summary current
- 16:2216:22, 16 November 2014 diff hist 0 N File:JBao isomer1 2uBr summarytable.GIF No edit summary current
- 15:5815:58, 16 November 2014 diff hist +2,459 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:4715:47, 16 November 2014 diff hist +19 Rep:Mod:bei1994 →3rd Year Computational Lab - Inorganic module - Mini Project: Lewis Acids and Bases
- 15:4615:46, 16 November 2014 diff hist +1 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:4415:44, 16 November 2014 diff hist +12 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
