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4 March 2013
- 12:3012:30, 4 March 2013 diff hist +1,360 Rep:Mod:AHall Computational Lab Module 1 →Molecular Mechanics Modeling
- 12:1312:13, 4 March 2013 diff hist +171 User:Amh110 →3rd year computational labs current
- 12:1112:11, 4 March 2013 diff hist +75 N Rep:Mod:AHall Computational Lab Module 1 Created page with "=Molecular Mechanics Modeling= ===Hydrogenation of Cyclopentadiene Dimer==="
1 March 2013
- 16:4316:43, 1 March 2013 diff hist +44 Rep:Mod:AHall Comp2 →Charge Distribution
- 16:3216:32, 1 March 2013 diff hist +514 Rep:Mod:AHall Comp2 →NBO analysis
- 16:2216:22, 1 March 2013 diff hist +843 Rep:Mod:AHall Comp2 →NBO analysis
- 16:0916:09, 1 March 2013 diff hist +6 Rep:Mod:AHall Comp2 →NBO anaylsis
- 16:0716:07, 1 March 2013 diff hist +1,522 Rep:Mod:AHall Comp2 →NBO anaylsis
- 15:4515:45, 1 March 2013 diff hist +1,270 Rep:Mod:AHall Comp2 →MO 20/21
- 15:2915:29, 1 March 2013 diff hist +554 Rep:Mod:AHall Comp2 →MO 20/21
- 15:0915:09, 1 March 2013 diff hist +1,748 Rep:Mod:AHall Comp2 →Charge Distribution
- 14:3914:39, 1 March 2013 diff hist +9 Rep:Mod:AHall Comp2 →MOs
- 14:3714:37, 1 March 2013 diff hist +1,654 Rep:Mod:AHall Comp2 →MOs
- 14:0614:06, 1 March 2013 diff hist 0 File:AHall ben LCAO 18.png uploaded a new version of "File:AHall ben LCAO 18.png": LCAO benzene current
- 14:0614:06, 1 March 2013 diff hist 0 File:AHall ben LCAO 17.png uploaded a new version of "File:AHall ben LCAO 17.png": LCAO benzene current
- 14:0214:02, 1 March 2013 diff hist +12 N File:AHall ben LCAO 20.png LCAO benzene current
- 14:0214:02, 1 March 2013 diff hist +12 N File:AHall ben LCAO 18.png LCAO benzene
- 14:0214:02, 1 March 2013 diff hist +12 N File:AHall ben LCAO 17.png LCAO benzene
- 13:5813:58, 1 March 2013 diff hist +11 N File:AHall ben MO 17.png Benzene MOs current
- 13:5813:58, 1 March 2013 diff hist +100 Rep:Mod:AHall Comp2 →MO 20/21
- 13:5813:58, 1 March 2013 diff hist +11 N File:AHall ben MO 21 HOMO.png Benzene MOs current
- 13:5813:58, 1 March 2013 diff hist +11 N File:AHall ben MO 20.png Benzene MOs current
- 13:5813:58, 1 March 2013 diff hist +11 N File:AHall ben MO 19.png Benzene MOs current
- 13:5813:58, 1 March 2013 diff hist +11 N File:AHall ben MO 18.png Benzene MOs current
- 13:5313:53, 1 March 2013 diff hist +649 Rep:Mod:AHall Comp2 →MOs
- 13:4513:45, 1 March 2013 diff hist +59 Rep:Mod:AHall Comp2 →Charge Distribution
- 13:4313:43, 1 March 2013 diff hist +14 Rep:Mod:AHall Comp2 →Charge Distribution
- 13:4013:40, 1 March 2013 diff hist +22 N File:AHall borz.png Diagrams for aromatics current
- 13:4013:40, 1 March 2013 diff hist +22 N File:AHall pyr.png Diagrams for aromatics current
- 13:4013:40, 1 March 2013 diff hist +22 N File:AHall bor.png Diagrams for aromatics current
- 13:4013:40, 1 March 2013 diff hist +22 N File:AHall ben.png Diagrams for aromatics current
- 13:4013:40, 1 March 2013 diff hist +1,554 Rep:Mod:AHall Comp2 →Comparison
- 13:1013:10, 1 March 2013 diff hist +285 Rep:Mod:AHall Comp2 →Comparison
- 12:5812:58, 1 March 2013 diff hist +505 Rep:Mod:AHall Comp2 →BH3
- 12:4712:47, 1 March 2013 diff hist +703 Rep:Mod:AHall Comp2 →Comparison
- 10:5410:54, 1 March 2013 diff hist +1,746 Rep:Mod:AHall Comp2 →Comparison
- 10:2510:25, 1 March 2013 diff hist +246 Rep:Mod:AHall Comp2 →Comparison of Bond lengths
28 February 2013
- 20:4320:43, 28 February 2013 diff hist +16 Rep:Mod:AHall Comp2 →Optimisation of BBr3
- 20:4220:42, 28 February 2013 diff hist +17 Rep:Mod:AHall Comp2 →Optimisation of TlBr3
- 20:4120:41, 28 February 2013 diff hist +137 Rep:Mod:AHall Comp2 →Using 3-21G basis set
- 20:4120:41, 28 February 2013 diff hist 0 Rep:Mod:AHall Comp2 →Optimisation
- 20:4120:41, 28 February 2013 diff hist −99 Rep:Mod:AHall Comp2 →Optimisation
- 20:3920:39, 28 February 2013 diff hist +29 Rep:Mod:AHall Comp2 →Comparison
- 20:3720:37, 28 February 2013 diff hist +137 Rep:Mod:AHall Comp2 →Optimisation
- 17:1517:15, 28 February 2013 diff hist +26 N File:AHall pyr charges norm.png Normalised charge diagrams current
- 17:1517:15, 28 February 2013 diff hist +26 N File:AHall borz charges norm.png Normalised charge diagrams current
- 17:1517:15, 28 February 2013 diff hist +26 N File:AHall bor charges norm.png Normalised charge diagrams current
- 17:1517:15, 28 February 2013 diff hist +26 N File:AHall ben charges norm.png Normalised charge diagrams current
- 17:0417:04, 28 February 2013 diff hist +72 Rep:Mod:AHall Comp2 →NBO analysis
- 17:0417:04, 28 February 2013 diff hist +32 N File:AHall borz charges.png Charge distribution of borazine. current