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• 10:20, 31 October 2013 Sam11 talk contribs uploaded File:FREQ PART B OPTIMISATION HF 3-21G TO DFT B3LYP 6-31G.mol
• 10:12, 31 October 2013 Sam11 talk contribs uploaded a new version of File:Spectrum chair optimised.svg
• 10:12, 31 October 2013 Sam11 talk contribs uploaded File:Spectrum chair optimised.svg
• 10:08, 31 October 2013 Sam11 talk contribs uploaded File:Frequency -565 chair.gif
• 09:19, 31 October 2013 Sam11 talk contribs uploaded File:OPTIMISATION 6 WITH FROZEN BONDS CHECK.mol
• 04:00, 31 October 2013 Sam11 talk contribs uploaded File:Optimisation 6 with frozen bonds.mol
• 03:49, 31 October 2013 Sam11 talk contribs uploaded File:Other TS HF trial 2.mol
• 03:45, 31 October 2013 Sam11 talk contribs uploaded File:-554.48, IR 2.6827 im freq.gif
• 01:59, 31 October 2013 Sam11 talk contribs uploaded File:Hartree fock with USE THIS ONE checked bond lengths optimisation + frequency.mol
• 01:57, 31 October 2013 Sam11 talk contribs uploaded File:-8181 exactly spectrum.svg
• 01:50, 31 October 2013 Sam11 talk contribs uploaded File:-818 vibration exactly.gif
• 01:23, 31 October 2013 Sam11 talk contribs uploaded File:Ir spec. number 2
• 01:20, 31 October 2013 Sam11 talk contribs uploaded a new version of File:-818.14, im fr..gif
• 01:19, 31 October 2013 Sam11 talk contribs uploaded File:-818.14, im fr..gif
• 01:14, 31 October 2013 Sam11 talk contribs uploaded File:Number 2.mol
• 00:30, 31 October 2013 Sam11 talk contribs uploaded File:Ts ir no.2
• 00:26, 31 October 2013 Sam11 talk contribs uploaded File:-817.96, 5.8778 IR no.2 im fr..gif
• 23:32, 30 October 2013 Sam11 talk contribs uploaded File:Hartree fock with checked bond lengths optimisation + frequency.mol
• 23:09, 30 October 2013 Sam11 talk contribs uploaded File:Started from benzene TS berny HF.mol
• 23:07, 30 October 2013 Sam11 talk contribs uploaded File:Ts ir.svg
• 23:01, 30 October 2013 Sam11 talk contribs uploaded File:-817.91, 5.8594 IR im freq.gif
• 20:05, 30 October 2013 Sam11 talk contribs uploaded File:Started from benzene.mol
• 20:03, 30 October 2013 Sam11 talk contribs uploaded File:HF ALLYL FRAGMENT.mol
• 20:02, 30 October 2013 Sam11 talk contribs uploaded File:HARTREE FOCK WITH CHECKED BOND LENGTHS.mol
• 18:51, 30 October 2013 Sam11 talk contribs uploaded File:Dft CONFORMATIONS OF HEXADIENE C.mol
• 18:49, 30 October 2013 Sam11 talk contribs uploaded File:Dft gauche3.txt
• 13:00, 30 October 2013 Sam11 talk contribs uploaded File:IR lower energy Ci.svg
• 12:54, 30 October 2013 Sam11 talk contribs uploaded File:74.98 vibr.gif
• 12:24, 30 October 2013 Sam11 talk contribs uploaded File:IR spectrum of anti2.svg
• 12:21, 30 October 2013 Sam11 talk contribs uploaded a new version of File:74 IR vibration.gif
• 12:19, 30 October 2013 Sam11 talk contribs uploaded File:74 IR vibration.gif
• 04:58, 30 October 2013 Sam11 talk contribs uploaded File:CONNOT CONSTRAINED FORMATIONS OF HEXADIENE E DFT B3LYP.mol
• 03:33, 30 October 2013 Sam11 talk contribs uploaded File:Homo anti2.PNG
• 03:31, 30 October 2013 Sam11 talk contribs uploaded File:Homo gauche3.PNG
• 02:44, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE K.mol
• 02:42, 30 October 2013 Sam11 talk contribs uploaded File:Conformations of hexadiene.mol
• 02:40, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE E.mol
• 02:38, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE I.mol
• 02:35, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE H.mol
• 02:32, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE L.mol
• 02:20, 30 October 2013 Sam11 talk contribs uploaded File:CONFORMATIONS OF HEXADIENE C.mol
• 19:49, 29 October 2013 Sam11 talk contribs uploaded File:Cyclohexadiene DFT LUMO.PNG
• 19:47, 29 October 2013 Sam11 talk contribs uploaded File:Cyclohexadiene mo ordering.PNG
• 19:46, 29 October 2013 Sam11 talk contribs uploaded File:Cyclohexadiene DFT hoMO.PNG
• 19:44, 29 October 2013 Sam11 talk contribs uploaded File:MALEIC ANHYDRIDE DFT HOMO.PNG
• 19:42, 29 October 2013 Sam11 talk contribs uploaded File:MALEIC ANHYDRIDE DFT MO ORDERING.PNG
• 19:38, 29 October 2013 Sam11 talk contribs uploaded File:MALEIC ANHYDRIDE DFT LUMO.PNG
• 19:26, 29 October 2013 Sam11 talk contribs uploaded File:MO ORDERING EXO.PNG
• 19:25, 29 October 2013 Sam11 talk contribs uploaded File:Homo sm am1 level.PNG
• 19:15, 29 October 2013 Sam11 talk contribs uploaded File:Lumo sm am1 level.PNG