User contributions for Jb3912
21 November 2014
- 10:4910:49, 21 November 2014 diff hist +40 Rep:Mod:bei1994 →Suggestion for further study
- 10:4510:45, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Suggestion for further study
- 10:4510:45, 21 November 2014 diff hist +99 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 10:4110:41, 21 November 2014 diff hist +149 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 10:3410:34, 21 November 2014 diff hist +3 Rep:Mod:bei1994 →Additional: NBO charge analysis
- 10:3310:33, 21 November 2014 diff hist +29 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 10:2810:28, 21 November 2014 diff hist +3 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 10:2510:25, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 10:2510:25, 21 November 2014 diff hist +2 Rep:Mod:bei1994 →MO analysis: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 10:2510:25, 21 November 2014 diff hist +132 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 10:0710:07, 21 November 2014 diff hist −10 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 10:0510:05, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Analysis of Al-Br stretching vibrations
- 10:0410:04, 21 November 2014 diff hist +12 Rep:Mod:bei1994 →Analysis of IR spectra
- 10:0110:01, 21 November 2014 diff hist −4 Rep:Mod:bei1994 →Analysis of IR spectra
- 10:0110:01, 21 November 2014 diff hist +105 Rep:Mod:bei1994 →Analysis of IR spectra
- 09:5609:56, 21 November 2014 diff hist +9 Rep:Mod:bei1994 →Analysis of IR spectra
- 09:5309:53, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 09:5109:51, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 09:5109:51, 21 November 2014 diff hist 0 Rep:Mod:bei1994 →Frequency: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 09:5109:51, 21 November 2014 diff hist +69 Rep:Mod:bei1994 →Additional: Geometry comparison
- 09:4809:48, 21 November 2014 diff hist −33 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3909:39, 21 November 2014 diff hist −2 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3709:37, 21 November 2014 diff hist 0 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3609:36, 21 November 2014 diff hist +6 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3509:35, 21 November 2014 diff hist +48 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3409:34, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3309:33, 21 November 2014 diff hist +31 Rep:Mod:bei1994 →Analysis of relative energies
- 09:3109:31, 21 November 2014 diff hist +19 Rep:Mod:bei1994 →Analysis of relative energies
- 09:2509:25, 21 November 2014 diff hist +7 Rep:Mod:bei1994 →Optimisation: B3LYP/Al, Cl: 6-31G(d,p)/Br: LanL2DZ
- 09:2309:23, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →3rd Year Computational Lab - Inorganic module - Mini Project: Lewis Acids and Bases
- 09:2209:22, 21 November 2014 diff hist +2 Rep:Mod:bei1994 →3rd Year Computational Lab - Inorganic module - Mini Project: Lewis Acids and Bases
- 09:2209:22, 21 November 2014 diff hist +99 Rep:Mod:bei1994 →Analysis of bond energy
- 09:1809:18, 21 November 2014 diff hist +14 Rep:Mod:bei1994 →Analysis of bond energy
- 09:1609:16, 21 November 2014 diff hist +33 Rep:Mod:bei1994 →Analysis of bond energy
- 09:1509:15, 21 November 2014 diff hist −1 Rep:Mod:bei1994 →Vibrational spectrum for H3N-BH3
- 09:1509:15, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →Analysis of bond energy
- 09:1409:14, 21 November 2014 diff hist +10 Rep:Mod:bei1994 →Vibrational spectrum for H3N-BH3
- 09:1209:12, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →NH3 - BH3: B3LYP/6-31G(d,p) level
- 09:0709:07, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →NH3: B3LYP/6-31G(d,p) level
- 09:0709:07, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →NH3: B3LYP/6-31G(d,p) level
- 09:0709:07, 21 November 2014 diff hist +213 Rep:Mod:bei1994 →BH3 MO analysis : B3LYP/6-31G(d,p) level
- 09:0209:02, 21 November 2014 diff hist +1 Rep:Mod:bei1994 →BH3 MO analysis : B3LYP/6-31G(d,p) level
- 09:0209:02, 21 November 2014 diff hist +2 Rep:Mod:bei1994 →BH3 MO analysis : B3LYP/6-31G(d,p) level
- 09:0109:01, 21 November 2014 diff hist +8 Rep:Mod:bei1994 →Frequency Comparison
- 08:5908:59, 21 November 2014 diff hist +69 Rep:Mod:bei1994 →Frequency Comparison
- 08:5708:57, 21 November 2014 diff hist +52 Rep:Mod:bei1994 →Frequency Comparison
- 08:5408:54, 21 November 2014 diff hist 0 Rep:Mod:bei1994 →BBr3:B3LYP/6-31G(d,p)LANL2DZ
- 08:5408:54, 21 November 2014 diff hist 0 Rep:Mod:bei1994 →GaBr3:B3LYP/LANL2DZ