User contributions for Qaa12

16 November 2014

• 17:0617:06, 16 November 2014 diff hist 0 N File:QA cis symm summary.jpg No edit summary current
• 17:0517:05, 16 November 2014 diff hist 0 N File:QA cis opt.mol No edit summary current
• 17:0417:04, 16 November 2014 diff hist 0 N File:QA cis opt conv.jpg No edit summary current
• 17:0317:03, 16 November 2014 diff hist 0 N File:QA cis opt symm.jpg No edit summary current
• 17:0117:01, 16 November 2014 diff hist +1,747 Rep:Title=Mod:qaa12 →Optimisation and Symmetrisation of 4 isomers of Al2Cl4Br2 using 631-G(d,p) and LANL2DZ pseudopotential
• 16:5916:59, 16 November 2014 diff hist +874 Rep:Title=Mod:qaa12 →cis-Br Isomer
• 16:5816:58, 16 November 2014 diff hist +336 Rep:Title=Mod:qaa12 →trans-Br Isomer
• 16:5716:57, 16 November 2014 diff hist 0 N File:QA trans symm conv.jpg No edit summary current
• 16:5716:57, 16 November 2014 diff hist 0 N File:QA trans symm summary.jpg No edit summary current
• 16:5516:55, 16 November 2014 diff hist +1 Rep:Title=Mod:qaa12 →trans-Br Isomer
• 16:5516:55, 16 November 2014 diff hist +67 Rep:Title=Mod:qaa12 No edit summary
• 16:5316:53, 16 November 2014 diff hist 0 N File:QA trans opt.mol No edit summary current
• 16:5216:52, 16 November 2014 diff hist 0 N File:QA trans opt convergence.jpg No edit summary current
• 16:5216:52, 16 November 2014 diff hist 0 N File:QA trans opt summary.jpg No edit summary current
• 16:4816:48, 16 November 2014 diff hist +512 Rep:Title=Mod:qaa12 No edit summary
• 16:4716:47, 16 November 2014 diff hist +183 Rep:Title=Mod:qaa12 →Project section

14 November 2014

• 15:2915:29, 14 November 2014 diff hist −6 Rep:Title=Mod:qaa12 →Calculating Bond Dissociation Energy
• 15:2515:25, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →B3LYP/6-31G(d,p) Symmetrisation
• 15:2415:24, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →NH3 MO Energies
• 15:2315:23, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →BH3 MO Energies
• 15:2315:23, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →GaBr3 Frequency
• 15:2315:23, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →B3LYP/GEN level
• 15:2215:22, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →B3LYP/LANL2DZ level
• 15:2215:22, 14 November 2014 diff hist −3 Rep:Title=Mod:qaa12 →Frequency of NH3bH3 B3LYP/6-31G(d,p)
• 15:2015:20, 14 November 2014 diff hist 0 Rep:Title=Mod:qaa12 →Frequency of NH3bH3 B3LYP/6-31G(d,p)
• 15:2015:20, 14 November 2014 diff hist 0 Rep:Title=Mod:qaa12 →Frequency of NH3bH3 B3LYP/6-31G(d,p)
• 15:1315:13, 14 November 2014 diff hist −1 Rep:Title=Mod:qaa12 →Frequency of NH3bH3 B3LYP/6-31G(d,p)
• 15:0315:03, 14 November 2014 diff hist −24 Rep:Title=Mod:qaa12 →Geometry Data Comparison
• 14:4414:44, 14 November 2014 diff hist −15 Rep:Title=Mod:qaa12 →Geometry Data Comparison
• 14:0914:09, 14 November 2014 diff hist +222 Rep:Title=Mod:qaa12 →GaBr3 Frequency
• 10:2610:26, 14 November 2014 diff hist +566 Rep:Title=Mod:qaa12 →Vibrational Spectrum for GaBr3

13 November 2014

• 23:2023:20, 13 November 2014 diff hist +283 Rep:Title=Mod:qaa12 →Vibrational Spectrum for BH3
• 23:1423:14, 13 November 2014 diff hist −32 Rep:Title=Mod:qaa12 →BH3 MO Energies
• 23:1323:13, 13 November 2014 diff hist +677 Rep:Title=Mod:qaa12 →BH3 MO Energies
• 22:5922:59, 13 November 2014 diff hist +3 Rep:Title=Mod:qaa12 →Calculating Bond Dissociation Energy
• 22:5422:54, 13 November 2014 diff hist +107 Rep:Title=Mod:qaa12 →Geometry Data Comparison
• 22:4822:48, 13 November 2014 diff hist +119 Rep:Title=Mod:qaa12 No edit summary
• 22:4722:47, 13 November 2014 diff hist +731 Rep:Title=Mod:qaa12 →Geometry Data Comparison
• 22:2522:25, 13 November 2014 diff hist +1,028 Rep:Title=Mod:qaa12 →Geometry Data Comparison
• 22:0022:00, 13 November 2014 diff hist +476 Rep:Title=Mod:qaa12 →Molecular Energies
• 21:4721:47, 13 November 2014 diff hist +204 Rep:Title=Mod:qaa12 No edit summary
• 21:1221:12, 13 November 2014 diff hist +1,225 Rep:Title=Mod:qaa12 No edit summary
• 20:5020:50, 13 November 2014 diff hist 0 N File:NH3BH3 frequency IR.png No edit summary current
• 20:4820:48, 13 November 2014 diff hist 0 N File:NH3BH3 lowfrequencies.jpg No edit summary current
• 20:4720:47, 13 November 2014 diff hist 0 N File:NH3BH3 frequency summary.jpg No edit summary current
• 20:4720:47, 13 November 2014 diff hist 0 File:NH3 frequency summary.png Qaa12 uploaded a new version of "File:NH3 frequency summary.png" current
• 20:2420:24, 13 November 2014 diff hist +500 Rep:Title=Mod:qaa12 No edit summary
• 20:2320:23, 13 November 2014 diff hist 0 N File:QA NH3BH3 symm.mol No edit summary current
• 20:2320:23, 13 November 2014 diff hist 0 N File:NH3BH3 symm convergence.jpg No edit summary current
• 20:2220:22, 13 November 2014 diff hist 0 N File:NH3BH3 symm summary.jpg No edit summary current