User contributions for Ll4310
Appearance
14 November 2012
- 09:5409:54, 14 November 2012 diff hist +285 Rep:Mod:ll4310 →TlBr3
- 09:4009:40, 14 November 2012 diff hist +176 Rep:Mod:ll4310 →Further optimisation
- 09:3709:37, 14 November 2012 diff hist −169 Rep:Mod:ll4310 →TlBr3
- 09:3609:36, 14 November 2012 diff hist +559 Rep:Mod:ll4310 →TlBr3
- 09:2709:27, 14 November 2012 diff hist −18 Rep:Mod:ll4310 →Further optimisation
- 09:2709:27, 14 November 2012 diff hist +31 Rep:Mod:ll4310 →BH3 Optimisation
- 09:2509:25, 14 November 2012 diff hist +66 Rep:Mod:ll4310 →Further optimisation
- 09:2209:22, 14 November 2012 diff hist +45 N File:BH3 OPTIMISATION ll4310 631g dp.gjf BH<sub>3</sub> using the 6-31G(d,p) basis set current
13 November 2012
- 20:4120:41, 13 November 2012 diff hist −1 Rep:Mod:ll4310 →BH3 Optimisation
- 20:4120:41, 13 November 2012 diff hist +154 Rep:Mod:ll4310 →BH3 Optimisation
- 20:3820:38, 13 November 2012 diff hist +751 Rep:Mod:ll4310 →Computational Labs: Module Two
- 20:2520:25, 13 November 2012 diff hist +2 Rep:Mod:ll4310 →BBr3
- 20:2520:25, 13 November 2012 diff hist +2 Rep:Mod:ll4310 →TlBr3
- 20:2220:22, 13 November 2012 diff hist +6 Rep:Mod:ll4310 →BBr3
- 20:2020:20, 13 November 2012 diff hist +330 Rep:Mod:ll4310 →BBr3
- 17:2717:27, 13 November 2012 diff hist +1,652 Rep:Mod:ll4310 →BBr3
- 16:5016:50, 13 November 2012 diff hist +23 Rep:Mod:ll4310 →TlBr3
- 16:3416:34, 13 November 2012 diff hist +111 Rep:Mod:ll4310 →TlBr3
- 16:3216:32, 13 November 2012 diff hist +40 Rep:Mod:ll4310 →TlBr3
- 16:3116:31, 13 November 2012 diff hist +294 Rep:Mod:ll4310 →TlBr3
- 16:2016:20, 13 November 2012 diff hist +1,528 Rep:Mod:ll4310 →TlBr3
- 16:1216:12, 13 November 2012 diff hist +137 Rep:Mod:ll4310 →TlBr3
- 15:4515:45, 13 November 2012 diff hist +117 Rep:Mod:ll4310 →Further optimisation
- 15:3015:30, 13 November 2012 diff hist +4 Rep:Mod:ll4310 →Further optimisation
- 15:3015:30, 13 November 2012 diff hist +1,529 Rep:Mod:ll4310 →Further optimisation
- 15:2615:26, 13 November 2012 diff hist +4 Rep:Mod:ll4310 →Further optimisation
- 15:2215:22, 13 November 2012 diff hist +828 Rep:Mod:ll4310 →BH3 Optimisation
- 14:4114:41, 13 November 2012 diff hist +116 Rep:Mod:ll4310 →BH3 Optimisation
- 14:3714:37, 13 November 2012 diff hist +17 Rep:Mod:ll4310 →BH3 Optimisation
- 14:3314:33, 13 November 2012 diff hist +120 Rep:Mod:ll4310 →BH3 Optimisation
- 14:2214:22, 13 November 2012 diff hist +40 N File:Gradientvsoptimisationll4310.PNG Graph showing force vs optimisation step current
- 14:2214:22, 13 November 2012 diff hist +42 N File:Totalenergyvsoptimisationll4310.PNG Graph showing total energy vs optimisation current
- 14:2014:20, 13 November 2012 diff hist +163 Rep:Mod:ll4310 →BH3 Optimisation
- 14:1514:15, 13 November 2012 diff hist +510 Rep:Mod:ll4310 →BH3 Optimisation
12 November 2012
- 16:1916:19, 12 November 2012 diff hist 0 Rep:Mod:ll4310 →BH3 Optimisation
- 16:1916:19, 12 November 2012 diff hist +1,529 Rep:Mod:ll4310 →BH3 Optimisation
- 15:5615:56, 12 November 2012 diff hist +82 Rep:Mod:ll4310 No edit summary
- 15:5415:54, 12 November 2012 diff hist −162 Rep:Mod:ll4310 No edit summary
- 15:5315:53, 12 November 2012 diff hist +3 Rep:Mod:ll4310 No edit summary
- 15:5315:53, 12 November 2012 diff hist 0 Rep:Mod:ll4310 No edit summary
- 15:5215:52, 12 November 2012 diff hist +1 Rep:Mod:ll4310 No edit summary
- 15:5115:51, 12 November 2012 diff hist +267 Rep:Mod:ll4310 No edit summary
- 15:4415:44, 12 November 2012 diff hist +225 Rep:Mod:ll4310 No edit summary
- 15:2815:28, 12 November 2012 diff hist −1 Rep:Mod:ll4310 No edit summary
- 15:2715:27, 12 November 2012 diff hist −54 Rep:Mod:ll4310 No edit summary
- 15:2615:26, 12 November 2012 diff hist +90 Rep:Mod:ll4310 No edit summary
- 15:1915:19, 12 November 2012 diff hist +74 Rep:Mod:ll4310 No edit summary
- 15:1715:17, 12 November 2012 diff hist +360 N Rep:Mod:ll4310 Created page with "== Computational Labs: Module Two == === BH<sub>3</sub> Optimisation === The Gaussview software was used to optimise a BH<sub>3</sub> molecule. The bond lengths were initially ..."
- 15:0515:05, 12 November 2012 diff hist +58 N File:BH3 OPTIMISATION ll4310.LOG A Gaussview image of the optimised BH<sub>3</sub> molecule current
- 14:2714:27, 12 November 2012 diff hist 0 File:BH3 OPTIMISATION.LOG uploaded a new version of "File:BH3 OPTIMISATION.LOG"