User contributions for Jg1909

6 March 2013

• 11:1011:10, 6 March 2013 diff hist 0 File:Cope rearrangement.JPG uploaded a new version of "File:Cope rearrangement.JPG" current
• 11:0011:00, 6 March 2013 diff hist +84 Rep:Mod:jamie2 No edit summary
• 10:5710:57, 6 March 2013 diff hist +456 Rep:Mod:jamie2 →Optimisation with Higher Basis Set
• 10:5510:55, 6 March 2013 diff hist 0 N File:React anti2 DFT 6-31G higher level opt summary table.JPG No edit summary current
• 10:4910:49, 6 March 2013 diff hist +118 Rep:Mod:jamie2 No edit summary
• 10:4810:48, 6 March 2013 diff hist 0 File:React gauche.chk uploaded a new version of "File:React gauche.chk" current
• 10:4010:40, 6 March 2013 diff hist 0 N File:React gauche opt summary table .chk No edit summary current
• 10:3310:33, 6 March 2013 diff hist 0 N File:React anti opt summary table chk..JPG No edit summary current
• 10:2910:29, 6 March 2013 diff hist 0 File:React anti.chk uploaded a new version of "File:React anti.chk" current

5 March 2013

• 17:2717:27, 5 March 2013 diff hist +529 Rep:Mod:jamie2 No edit summary
• 17:1917:19, 5 March 2013 diff hist 0 N File:React anti2 DFT 6-31G higher level opt.chk No edit summary current
• 13:5213:52, 5 March 2013 diff hist +353 Rep:Mod:jamie2 No edit summary
• 13:2013:20, 5 March 2013 diff hist +228 Rep:Mod:jamie2 No edit summary
• 13:0813:08, 5 March 2013 diff hist +1,676 Rep:Mod:jamie2 No edit summary
• 12:5812:58, 5 March 2013 diff hist 0 N File:React gauche picture.JPG No edit summary current
• 12:5712:57, 5 March 2013 diff hist 0 N File:React gauche opt summary table.JPG No edit summary current

4 March 2013

• 15:5915:59, 4 March 2013 diff hist +400 N Rep:Mod:jamie2 Created page with "=Transition States and Reactivity= ==Introduction== ==Cope Rearrangement== 1,5-hexadiene was drawn with an 'anti' linkage and was then optimised using Hartree Fock method and the..."
• 15:5215:52, 4 March 2013 diff hist 0 N File:React anti opt summary table.JPG No edit summary current
• 15:5015:50, 4 March 2013 diff hist 0 N File:React anti picture.JPG No edit summary current

2 March 2013

• 18:0418:04, 2 March 2013 diff hist +332 Rep:Mod:jamie No edit summary
• 18:0118:01, 2 March 2013 diff hist +14 Rep:Mod:jamie →Discussion of frequency calculations
• 17:5817:58, 2 March 2013 diff hist −24 Rep:Mod:jamie →Animation of frequencies
• 17:5717:57, 2 March 2013 diff hist −19 Rep:Mod:jamie →Animation of frequencies
• 17:5617:56, 2 March 2013 diff hist −4 Rep:Mod:jamie →Molecular Orbital Analysis of BH3
• 17:5617:56, 2 March 2013 diff hist −19 Rep:Mod:jamie →TlBr3
• 17:5617:56, 2 March 2013 diff hist −18 Rep:Mod:jamie →Animated BH3 frequencies
• 17:5517:55, 2 March 2013 diff hist −18 Rep:Mod:jamie →Comparing frequencies of TlBr3 and BH3
• 17:5417:54, 2 March 2013 diff hist −3 Rep:Mod:jamie →TlBr3
• 17:5417:54, 2 March 2013 diff hist −4 Rep:Mod:jamie →BH3
• 17:5317:53, 2 March 2013 diff hist −16 Rep:Mod:jamie →Structure Comparison
• 17:5317:53, 2 March 2013 diff hist −3 Rep:Mod:jamie →BBr3
• 17:5317:53, 2 March 2013 diff hist −4 Rep:Mod:jamie →TlBr3
• 17:5317:53, 2 March 2013 diff hist −3 Rep:Mod:jamie →Optimisation using 6-31G(d,p)
• 17:5117:51, 2 March 2013 diff hist +24 Rep:Mod:jamie →Optimisation using 6-31G(d,p)
• 17:5117:51, 2 March 2013 diff hist −29 Rep:Mod:jamie →Optimisation of BH3
• 17:5017:50, 2 March 2013 diff hist −24 Rep:Mod:jamie →TlBr3
• 17:5017:50, 2 March 2013 diff hist −24 Rep:Mod:jamie →Animated BH3 frequencies
• 17:4217:42, 2 March 2013 diff hist +1,484 Rep:Mod:jamie →Discussion of frequency calculations
• 17:3117:31, 2 March 2013 diff hist 0 N File:Isomer 4 423.92 vibration.gif No edit summary current
• 17:3017:30, 2 March 2013 diff hist 0 N File:Isomer 3 421.07 vibration.gif No edit summary current
• 17:2917:29, 2 March 2013 diff hist 0 N File:Isomer 2 246.91 vibration.gif No edit summary current
• 17:2817:28, 2 March 2013 diff hist 0 N File:Isomer 1 419.70 vibration.gif No edit summary current
• 16:4616:46, 2 March 2013 diff hist +980 Rep:Mod:jamie →Population Analysis of most stable isomer
• 16:3516:35, 2 March 2013 diff hist 0 N File:MO 35 energy 0.16208 picture part 2.JPG No edit summary current
• 16:3416:34, 2 March 2013 diff hist 0 N File:MO 35 energy 0.16208 picture part 1.JPG No edit summary current
• 16:2216:22, 2 March 2013 diff hist 0 N File:MO 27 energy 0.04991 picture part 2.JPG No edit summary current
• 16:2116:21, 2 March 2013 diff hist 0 N File:MO 27 energy 0.04991 picture part 1.JPG No edit summary current
• 16:1116:11, 2 March 2013 diff hist +1,150 Rep:Mod:jamie →Population Analysis of most stable isomer
• 15:5715:57, 2 March 2013 diff hist 0 N File:MO 9 energy 0.48868 picture.JPG No edit summary current
• 15:4115:41, 2 March 2013 diff hist 0 N File:MO 15 energy 0.40629 picture.JPG No edit summary current