User contributions for Jb3912
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20 November 2014
- 17:4817:48, 20 November 2014 diff hist +3 Rep:Mod:bei1994 →Frequency Comparison
- 17:4817:48, 20 November 2014 diff hist +2 Rep:Mod:bei1994 →Frequency Comparison
- 17:4717:47, 20 November 2014 diff hist +573 Rep:Mod:bei1994 →Frequency Comparison
- 17:2517:25, 20 November 2014 diff hist +1 Rep:Mod:bei1994 →GaBr3:B3LYP/LANL2DZ
- 17:2517:25, 20 November 2014 diff hist +101 Rep:Mod:bei1994 →Vibrational spectrum for BH3
- 17:2017:20, 20 November 2014 diff hist 0 Rep:Mod:bei1994 →BH3 :B3LYP/6-31G(d,p)
- 17:2017:20, 20 November 2014 diff hist +209 Rep:Mod:bei1994 →Geometry Comparison
- 16:1916:19, 20 November 2014 diff hist +21 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:1816:18, 20 November 2014 diff hist +265 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:1416:14, 20 November 2014 diff hist +169 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:0416:04, 20 November 2014 diff hist +750 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:5015:50, 20 November 2014 diff hist +1,073 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:3215:32, 20 November 2014 diff hist +227 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:2215:22, 20 November 2014 diff hist +5 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:1415:14, 20 November 2014 diff hist 0 N File:JBao MO40new.GIF No edit summary current
- 15:1315:13, 20 November 2014 diff hist 0 File:JBao MO40.GIF Jb3912 uploaded a new version of "File:JBao MO40.GIF" current
- 15:0815:08, 20 November 2014 diff hist +9 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:0815:08, 20 November 2014 diff hist +67 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:0715:07, 20 November 2014 diff hist 0 N File:JBao MO39.GIF No edit summary current
- 15:0615:06, 20 November 2014 diff hist +29 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:0515:05, 20 November 2014 diff hist +13 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 15:0515:05, 20 November 2014 diff hist 0 N File:JBao MO45.GIF No edit summary current
- 15:0415:04, 20 November 2014 diff hist 0 N File:JBao MO40.GIF No edit summary
- 15:0315:03, 20 November 2014 diff hist 0 N File:JBao MO37.GIF No edit summary current
- 14:5914:59, 20 November 2014 diff hist 0 N File:JBao MO38.GIF No edit summary current
- 14:4214:42, 20 November 2014 diff hist −18 Rep:Mod:bei1994 →Analysis of relative energies
- 14:3314:33, 20 November 2014 diff hist −7 Rep:Mod:bei1994 →Analysis of relative energies
- 14:1714:17, 20 November 2014 diff hist 0 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 14:1714:17, 20 November 2014 diff hist +13 Rep:Mod:bei1994 →Additional: Geometry comparison
- 14:1514:15, 20 November 2014 diff hist +30 Rep:Mod:bei1994 →Additional: Geometry comparison
- 13:4413:44, 20 November 2014 diff hist +21 Rep:Mod:bei1994 →Additional: Geometry comparison
19 November 2014
- 18:5518:55, 19 November 2014 diff hist +2 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 18:5518:55, 19 November 2014 diff hist +6 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:5418:54, 19 November 2014 diff hist +1 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 18:5318:53, 19 November 2014 diff hist +6 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:5318:53, 19 November 2014 diff hist +310 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:4918:49, 19 November 2014 diff hist +1 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 18:4918:49, 19 November 2014 diff hist +31 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:4818:48, 19 November 2014 diff hist −603 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:4618:46, 19 November 2014 diff hist +58 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:4618:46, 19 November 2014 diff hist +1 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 18:4518:45, 19 November 2014 diff hist +127 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:1916:19, 19 November 2014 diff hist +1 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:1916:19, 19 November 2014 diff hist +1 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 16:1916:19, 19 November 2014 diff hist +1,824 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 15:5115:51, 19 November 2014 diff hist +2,034 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 15:1515:15, 19 November 2014 diff hist +11 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 14:5514:55, 19 November 2014 diff hist +522 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 14:2714:27, 19 November 2014 diff hist +463 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 14:1414:14, 19 November 2014 diff hist +2 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations