User contributions for Ll5112
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10 March 2015
- 15:5615:56, 10 March 2015 diff hist +53 Rep:Mod:llq211 →Terminal Br effects on Al-Br stretching vibrations
- 15:5415:54, 10 March 2015 diff hist +73 Rep:Mod:llq211 →Bridging Br effects on Al-Br stretching vibrations
- 14:1914:19, 10 March 2015 diff hist +72 Rep:Mod:llq211 →Terminal Br effects on Al-Br stretching vibrations
- 14:0414:04, 10 March 2015 diff hist +72 Rep:Mod:llq211 →Dissociation Energy of isomer 3 into 2 AlCl2Br
- 13:2013:20, 10 March 2015 diff hist +503 Rep:Mod:llq211 →Dissociation Energy of isomer 3 into 2 AlCl2Br
- 13:1113:11, 10 March 2015 diff hist +299 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 13:0313:03, 10 March 2015 diff hist +182 Rep:Mod:llq211 →Dissociation Energy of isomer 3 into 2 AlCl2Br
- 10:0510:05, 10 March 2015 diff hist +640 Rep:Mod:llq211 →Dissociation Energy of isomer 3 into 2 AlCl2Br
- 09:3709:37, 10 March 2015 diff hist +399 Rep:Mod:llq211 →Dissociation Energy of isomer 3 into 2 AlCl2Br
- 09:3709:37, 10 March 2015 diff hist +17 Rep:Mod:llq211 →Discussion of IR spectra
- 09:3609:36, 10 March 2015 diff hist +17 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 09:3109:31, 10 March 2015 diff hist 0 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 09:2809:28, 10 March 2015 diff hist +25 Rep:Mod:llq211 →Discussion of IR spectra
- 09:2609:26, 10 March 2015 diff hist +79 Rep:Mod:llq211 →Vibrational Analysis of AlCl2Br monomer: B3LYP/6-31G(d,p)/PP LANL2DZ
9 March 2015
- 22:1422:14, 9 March 2015 diff hist +1,018 Rep:Mod:llq211 →Discussion of IR spectra
- 21:2121:21, 9 March 2015 diff hist +615 Rep:Mod:llq211 →Discussion of IR spectra
- 21:1021:10, 9 March 2015 diff hist 0 N File:LL isomer 3 OPT IR spectrum NEW.PNG No edit summary current
- 20:5320:53, 9 March 2015 diff hist +118 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 20:5320:53, 9 March 2015 diff hist +14 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 20:5220:52, 9 March 2015 diff hist +46 Rep:Mod:llq211 →Energy Comparison of six isomers and the effects of positions of the Br atom
- 20:4620:46, 9 March 2015 diff hist +845 Rep:Mod:llq211 →Energy Analysis of six isomers
- 20:2620:26, 9 March 2015 diff hist +198 Rep:Mod:llq211 →Frequency Analysis of Isomer 1: B3LYP/6-31G(d,p)/PP LANL2DZ
- 20:0720:07, 9 March 2015 diff hist −4 Rep:Mod:llq211 →Energy Analysis of six isomers
8 March 2015
- 20:4920:49, 8 March 2015 diff hist +2 Rep:Mod:llq211 →Molecular Orbital Diagram
- 20:4820:48, 8 March 2015 diff hist 0 N File:LL BH3 MO transparant.PNG No edit summary current
- 17:2217:22, 8 March 2015 diff hist +8 Rep:Mod:llq211 →Frequency Analysis of AlCl2Br: B3LYP/6-31G(d,p)/PP LANL2DZ
- 14:4814:48, 8 March 2015 diff hist +4 Rep:Mod:llq211 →Frequency Analysis of AlCl2Br: B3LYP/6-31G(d,p)/PP LANL2DZ
- 14:4714:47, 8 March 2015 diff hist +4 Rep:Mod:llq211 →Frequency Analysis of Isomer 6: B3LYP/6-31G(d,p)/PP LANL2DZ
- 14:4714:47, 8 March 2015 diff hist +4 Rep:Mod:llq211 →Frequency Analysis of Isomer 5: B3LYP/6-31G(d,p)/PP LANL2DZ
- 14:4714:47, 8 March 2015 diff hist −4 Rep:Mod:llq211 →Point group: C2v
7 March 2015
- 16:3916:39, 7 March 2015 diff hist 0 Rep:Mod:llq211 →MO Analysis of Isomer 3
- 16:3816:38, 7 March 2015 diff hist +91 Rep:Mod:llq211 →AlCl2Br Monomer: B3LYP/GEN 6-31G(d,p) for Al, Cl, PP LANL2DZ for Br
- 16:3316:33, 7 March 2015 diff hist +4 Rep:Mod:llq211 →Frequency Analysis of NH3BH3: B3LYP/6-31G(d,p)
- 16:3316:33, 7 March 2015 diff hist +13 Rep:Mod:llq211 →Frequency Analysis of NH3: B3LYP/6-31G(d,p)
- 16:3216:32, 7 March 2015 diff hist +3 Rep:Mod:llq211 →Frequency Analysis of GaBr3: B3LYP/LanL2DZ
- 16:3116:31, 7 March 2015 diff hist 0 N File:LL GaBr3 frequency analysis summary correct.PNG No edit summary current
- 16:2916:29, 7 March 2015 diff hist +13 Rep:Mod:llq211 →Frequency Analysis of GaBr3: B3LYP/LanL2DZ
- 16:2816:28, 7 March 2015 diff hist +13 Rep:Mod:llq211 →Frequency Analysis of BH3: B3LYP/6-31G(d,p)
- 16:2816:28, 7 March 2015 diff hist +69 Rep:Mod:llq211 →BBr3: B3LYP/GEN 6-31G(d,p) for B atom, LanL2DZ for Br atoms
- 16:2816:28, 7 March 2015 diff hist 0 N File:LL BBr3 OPT GEN D3H.log No edit summary current
- 16:2716:27, 7 March 2015 diff hist +78 Rep:Mod:llq211 →GaBr3: B3LYP/LANL2DZ
- 16:2716:27, 7 March 2015 diff hist 0 N File:LL GaBr3 pp optimisation.log No edit summary current
- 16:2616:26, 7 March 2015 diff hist +17 Rep:Mod:llq211 →NH3BH3 Analysis
- 16:2516:25, 7 March 2015 diff hist +11 Rep:Mod:llq211 →NH3BH3: RB3LYP/6-31G(d,p) Level
- 16:2516:25, 7 March 2015 diff hist +7 Rep:Mod:llq211 →Natural Bond Orbital Analysis of NH3: RB3LYP/SP
- 16:2416:24, 7 March 2015 diff hist +7 Rep:Mod:llq211 →Molecular Orbital Analysis of NH3: RB3LYP/SP
- 16:2416:24, 7 March 2015 diff hist +5 Rep:Mod:llq211 →Vibrational Analysis of NH3: RB3LYP/FREQ
- 16:2416:24, 7 March 2015 diff hist +13 Rep:Mod:llq211 →Frequency Analysis of NH3: RB3LYP/FREQ
- 16:2416:24, 7 March 2015 diff hist +11 Rep:Mod:llq211 →NH3: B3LYP/6-31G(d,p) Level
- 16:2316:23, 7 March 2015 diff hist +7 Rep:Mod:llq211 →Molecular Orbital Analysis of BH3: RB3LYP/SP