User contributions for Amh110

21 February 2013

• 13:2213:22, 21 February 2013 diff hist 0 File:AHall bh3 spectrum.png uploaded a new version of "File:AHall bh3 spectrum.png" current
• 13:2013:20, 21 February 2013 diff hist +29 N File:AHall bh3 spectrum.png Predicted IR spectrum of BH3.
• 13:1713:17, 21 February 2013 diff hist +34 User:Amh110 →Images
• 13:1213:12, 21 February 2013 diff hist +209 Rep:Mod:AHall Comp2 →BH3
• 13:0613:06, 21 February 2013 diff hist +1 User:Amh110 →= Animations
• 13:0613:06, 21 February 2013 diff hist +204 User:Amh110 →Files
• 13:0213:02, 21 February 2013 diff hist +60 User:Amh110 →Images
• 13:0113:01, 21 February 2013 diff hist −12 User:Amh110 →Images
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 6.gif BH3 stretching mode animations current
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 5.gif BH3 stretching mode animations current
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 4.gif BH3 stretching mode animations current
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 3.gif BH3 stretching mode animations current
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 2.gif BH3 stretching mode animations current
• 12:5912:59, 21 February 2013 diff hist +30 N File:AHall bh3 vib 1.gif BH3 stretching mode animations current
• 12:3312:33, 21 February 2013 diff hist +10 Rep:Mod:AHall Comp2 →BH3
• 12:2812:28, 21 February 2013 diff hist +994 Rep:Mod:AHall Comp2 →BH3
• 11:2411:24, 21 February 2013 diff hist +612 Rep:Mod:AHall Comp2 →BH3
• 11:2111:21, 21 February 2013 diff hist 0 File:AHALL BH3 FREQ.LOG uploaded a new version of "File:AHALL BH3 FREQ.LOG": Recalculated file current
• 11:2011:20, 21 February 2013 diff hist +12 User:Amh110 →Images
• 11:1811:18, 21 February 2013 diff hist −61 User:Amh110 →Images
• 11:1811:18, 21 February 2013 diff hist −96 User:Amh110 →Files

20 February 2013

• 21:4121:41, 20 February 2013 diff hist +29 Rep:Mod:AHall Comp2 →Comparison of Bond lengths
• 20:4020:40, 20 February 2013 diff hist +394 Rep:Mod:AHall Comp2 →Comparison of Bond lengths
• 20:0320:03, 20 February 2013 diff hist +1 m User:Amh110 →D-Space files
• 19:1519:15, 20 February 2013 diff hist +505 User:Amh110 →3rd year computational labs

19 February 2013

• 17:0817:08, 19 February 2013 diff hist +2,487 Rep:Mod:AHall Comp2 →BH3
• 16:3816:38, 19 February 2013 diff hist +25 N File:AHALL BH3 FREQ.LOG Frequency analysis of BH3
• 16:2516:25, 19 February 2013 diff hist +1,220 Rep:Mod:AHall Comp2 →Comparison of Bond lengths
• 16:2116:21, 19 February 2013 diff hist +25 N File:AHall BH3 OPT 6-31GDP 2.LOG Re-optimised BH3 molecule current
• 16:0016:00, 19 February 2013 diff hist +316 Rep:Mod:AHall Comp2 →Optimisation of BBr3
• 15:4915:49, 19 February 2013 diff hist −177 m Rep:Mod:AHall Comp2 →Optimisation of TlBr3
• 15:2115:21, 19 February 2013 diff hist +46 m Rep:Mod:AHall Comp2 →Optimisation of BBr3
• 15:1615:16, 19 February 2013 diff hist 0 Rep:Mod:AHall Comp2 →Optimisation of BBr3
• 15:1115:11, 19 February 2013 diff hist +8 m Rep:Mod:AHall Comp2 →Optimisation of TlBr3
• 15:1015:10, 19 February 2013 diff hist +1,189 Rep:Mod:AHall Comp2 →Optimisation of TlBr3
• 15:0115:01, 19 February 2013 diff hist +923 Rep:Mod:AHall Comp2 No edit summary
• 13:4813:48, 19 February 2013 diff hist +366 m Rep:Mod:AHall Comp2 No edit summary

18 February 2013

• 16:4316:43, 18 February 2013 diff hist +100 m Rep:Mod:AHall Comp2 No edit summary
• 16:3316:33, 18 February 2013 diff hist +1,190 Rep:Mod:AHall Comp2 No edit summary
• 16:2316:23, 18 February 2013 diff hist +65 N File:AHall BH3 OPT 631G DP.LOG .log file for the optimisation of BH3 using 6-31g(d,p) basis set. current
• 16:0916:09, 18 February 2013 diff hist −1 m Rep:Mod:AHall Comp2 No edit summary
• 15:4615:46, 18 February 2013 diff hist −952 Rep:Mod:AHall Comp2 No edit summary
• 15:2915:29, 18 February 2013 diff hist +41 N File:AHall BH3 optplot RMSgrad.png Optimisation plot for RMS gradient of BH3 current
• 15:2815:28, 18 February 2013 diff hist +32 N File:AHall BH3 optplot energy.png Optimisation energy plot for BH3 current
• 15:1215:12, 18 February 2013 diff hist +2,219 Rep:Mod:AHall Comp2 No edit summary
• 14:4714:47, 18 February 2013 diff hist 0 File:AHall BH3 OPT.LOG uploaded a new version of "File:AHall BH3 OPT.LOG": Upload correct file current
• 14:2914:29, 18 February 2013 diff hist +76 N File:AHall BH3 OPT.LOG .log file for optimisation of BH3 using B3LYP method with a 3-21G basis set.

17 February 2013

• 22:0822:08, 17 February 2013 diff hist +61 User:Amh110 →Wiki Pages
• 17:1817:18, 17 February 2013 diff hist +92 N User:Amh110 Created page with "== Wiki Pages == Bonding and Molecular Orbitals of Main Group Compounds"
• 12:3412:34, 17 February 2013 diff hist +58 N Rep:Mod:AHall Comp2 Created page with "= Bonding and Molecular Orbitals in Main Group Compounds ="