User contributions for Sjn09
4 December 2011
- 23:5923:59, 4 December 2011 diff hist +2 Rep:Mod:SJN0612 No edit summary
- 23:5723:57, 4 December 2011 diff hist +759 Rep:Mod:SJN0612 No edit summary
- 23:5123:51, 4 December 2011 diff hist 0 File:MOdiagramGaussian.png uploaded a new version of "File:MOdiagramGaussian.png" current
- 23:4323:43, 4 December 2011 diff hist 0 N File:MOdiagramGaussian.png No edit summary
- 23:4323:43, 4 December 2011 diff hist 0 N File:MO diagram BH3 COMPLETE.png No edit summary current
- 23:0323:03, 4 December 2011 diff hist +140 Rep:Mod:SJN0612 No edit summary
- 23:0023:00, 4 December 2011 diff hist +678 Rep:Mod:SJN0612 No edit summary
- 22:3122:31, 4 December 2011 diff hist +516 Rep:Mod:SJN0612 No edit summary
- 22:2122:21, 4 December 2011 diff hist −26 Rep:Mod:SJN0612 No edit summary
- 22:1122:11, 4 December 2011 diff hist +875 Rep:Mod:SJN0612 No edit summary
- 22:0622:06, 4 December 2011 diff hist 0 N File:2737 (asym stretch).png No edit summary current
- 22:0622:06, 4 December 2011 diff hist 0 N File:2737 (asym stretch bis).png No edit summary current
- 22:0622:06, 4 December 2011 diff hist 0 N File:2598 (sym stretch).png No edit summary current
- 22:0622:06, 4 December 2011 diff hist 0 N File:1203 (sym cisor).png No edit summary current
- 22:0622:06, 4 December 2011 diff hist 0 N File:1203 (asym wag).png No edit summary current
- 22:0622:06, 4 December 2011 diff hist 0 N File:1144 (sym rock).png No edit summary current
- 21:5021:50, 4 December 2011 diff hist +568 Rep:Mod:SJN0612 No edit summary
- 21:4321:43, 4 December 2011 diff hist 0 N File:BH3 IR spectrum.png No edit summary current
- 21:0521:05, 4 December 2011 diff hist −15 Rep:Mod:SJN0612 →Optimisation
- 20:4720:47, 4 December 2011 diff hist +44 Rep:Mod:SJN0612 No edit summary
- 20:4520:45, 4 December 2011 diff hist +194 Rep:Mod:SJN0612 →Optimisation
- 20:3420:34, 4 December 2011 diff hist +191 Rep:Mod:SJN0612 →Optimisation
- 20:2920:29, 4 December 2011 diff hist +1,058 Rep:Mod:SJN0612 →Optimisation
- 20:2520:25, 4 December 2011 diff hist +186 Rep:Mod:SJN0612 →Optimisation
- 20:1920:19, 4 December 2011 diff hist +140 Rep:Mod:SJN0612 →Optimisation
- 20:1420:14, 4 December 2011 diff hist +218 Rep:Mod:SJN0612 →Optimisation
- 20:0320:03, 4 December 2011 diff hist 0 N File:BH3 optimization graphs.png No edit summary current
- 20:0120:01, 4 December 2011 diff hist +1 Rep:Mod:SJN0612 →Optimisation
- 20:0020:00, 4 December 2011 diff hist +530 Rep:Mod:SJN0612 →Optimisation
- 19:5019:50, 4 December 2011 diff hist +802 Rep:Mod:SJN0612 →Optimisation
- 18:4818:48, 4 December 2011 diff hist +163 Rep:Mod:SJN0612 No edit summary
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2 December 2011
- 15:5315:53, 2 December 2011 diff hist +38 Rep:Mod:SJN0612 →Introduction
- 15:4915:49, 2 December 2011 diff hist +233 Rep:Mod:SJN0612 →Introduction
- 09:5809:58, 2 December 2011 diff hist +687 Rep:Mod:SJN0612 No edit summary
- 09:4509:45, 2 December 2011 diff hist +696 N Rep:Mod:SJN0612 Created page with "==Introduction== In this module we explore a widely used quantum-mechanical calculational method (namely: DFT/B3LYP) and a set of basis sets to probe the structural and bonding ..."
25 November 2011
- 16:5616:56, 25 November 2011 diff hist +836 Rep:Mod:SJN2511 →Molecular mechanics and investigation of the mechanism with semi-empirical MO methods
- 16:4916:49, 25 November 2011 diff hist +416 Rep:Mod:SJN2511 No edit summary
- 16:4516:45, 25 November 2011 diff hist +3 Rep:Mod:SJN2511 →Molecular mechanics and investigation of the mechanism with semi-empirical MO methods
- 16:4416:44, 25 November 2011 diff hist +118 Rep:Mod:SJN2511 No edit summary
- 16:4016:40, 25 November 2011 diff hist 0 N File:HOMO Ketone Mech Step 1.png No edit summary current
- 16:4016:40, 25 November 2011 diff hist 0 N File:HOMO Ketone Mech Step 3.png No edit summary current
- 16:4016:40, 25 November 2011 diff hist 0 N File:LUMO Ketone Mech.png No edit summary current
- 16:4016:40, 25 November 2011 diff hist 0 N File:LUMO+1 Ketone Mech Step 2.png No edit summary current
- 16:4016:40, 25 November 2011 diff hist 0 N File:MEchanism.png No edit summary current
- 16:4016:40, 25 November 2011 diff hist +432 Rep:Mod:SJN2511 No edit summary
- 15:3715:37, 25 November 2011 diff hist −423 Rep:Mod:SJN2511 →Molecular mechanics and investigation of the mechanism with semi-empirical MO methods
- 15:3615:36, 25 November 2011 diff hist +1,614 Rep:Mod:SJN2511 No edit summary
- 15:0615:06, 25 November 2011 diff hist +1 Rep:Mod:SJN2511 →Optical Rotation
- 15:0515:05, 25 November 2011 diff hist +163 Rep:Mod:SJN2511 →Optical Rotation
- 14:4414:44, 25 November 2011 diff hist +413 Rep:Mod:SJN2511 →Optical Rotation
