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• 14:38, 25 October 2013 Sam11 talk contribs uploaded File:USE THIS ONE OPT unFROZEN AM1.mol
• 14:36, 25 October 2013 Sam11 talk contribs uploaded File:SPECTRUM UNFROZEN COORDS AM1.svg
• 14:32, 25 October 2013 Sam11 talk contribs uploaded File:UNFROZEN COORD VIBRATION REACTION.gif
• 14:08, 25 October 2013 Sam11 talk contribs uploaded File:TS unFROZEN COORDAM1 MIN..txt
• 13:47, 25 October 2013 Sam11 talk contribs uploaded a new version of File:OPT MIN FROZEN AM1.mol
• 13:44, 25 October 2013 Sam11 talk contribs uploaded File:OPT MIN FROZEN AM1.mol
• 13:42, 25 October 2013 Sam11 talk contribs uploaded File:SPECTRUM FROZEN COORDS AM1.svg
• 13:32, 25 October 2013 Sam11 talk contribs uploaded a new version of File:FROZEN COORD AM1 MIN.gif
• 13:25, 25 October 2013 Sam11 talk contribs uploaded File:FROZEN COORD AM1 MIN.gif
• 13:07, 25 October 2013 Sam11 talk contribs uploaded File:TS AM1 Opt noeigen with VdW + freq frozen coordinate.mol
• 12:57, 25 October 2013 Sam11 talk contribs uploaded File:TS 918.42 optimised to AM1 frozen coorberny vibration.gif
• 12:55, 25 October 2013 Sam11 talk contribs uploaded File:IR spectrum AM1 TS frozen coord.svg
• 12:31, 25 October 2013 Sam11 talk contribs uploaded File:IR spectrum AM1 TS.svg
• 12:29, 25 October 2013 Sam11 talk contribs uploaded File:TS9berny vibration.gif
• 12:02, 25 October 2013 Sam11 talk contribs uploaded File:TS AM1 Opt noeigen cS POINT GROUP.mol
• 12:01, 25 October 2013 Sam11 talk contribs uploaded File:TS AM1 Opt noeigen with VdW.mol
• 11:58, 25 October 2013 Sam11 talk contribs uploaded File:TS AM1 Opt noeigen with VdW.gjf
• 11:49, 25 October 2013 Sam11 talk contribs uploaded File:TS AM1 Opt noeigen.mol
• 10:54, 25 October 2013 Sam11 talk contribs uploaded File:AM1 symmetrised LUMO MO MESH.gif
• 10:50, 25 October 2013 Sam11 talk contribs uploaded File:AM1 symmetrised LUMO MO.gif
• 10:47, 25 October 2013 Sam11 talk contribs uploaded File:AM1 symmetrised HOMO MO.gif
• 10:42, 25 October 2013 Sam11 talk contribs uploaded File:HOMO AM1 symmetrised to C2V BETTER ANGLE.svg
• 16:48, 24 October 2013 Sam11 talk contribs uploaded File:NEVER WITH DIPOLE MOMENT B-DFT-B3LYP.mol
• 13:35, 24 October 2013 Sam11 talk contribs uploaded File:PART B OPTIMISATION HF 3-21G TO DFT B3LYP 6-31G.mol
• 13:19, 24 October 2013 Sam11 talk contribs uploaded File:Point 22 IRC.mol
• 13:18, 24 October 2013 Sam11 talk contribs uploaded File:IRC calculation once yes USE THIS ONE.svg
• 12:46, 24 October 2013 Sam11 talk contribs uploaded File:PART B OPTIMISATION AGAIN AGAIN IRC plus optimisation.mol
• 04:15, 23 October 2013 Sam11 talk contribs uploaded File:Chair optimisation IRC POINT 51.mol
• 04:11, 23 October 2013 Sam11 talk contribs uploaded File:2 PART F IRC PLOT WITH OPTIMISING CHAIR 2 EXPORTED DATA.svg
• 04:01, 23 October 2013 Sam11 talk contribs uploaded File:MINIMUM ENERGY CONFORMER IRC POINT 22 MOL.mol
• 03:58, 23 October 2013 Sam11 talk contribs uploaded File:MINIMUM ENERGY CONFORMER IRC POINT 44 MOL.mol
• 02:47, 23 October 2013 Sam11 talk contribs uploaded File:PART F MINIMUM ENERGY CONFORMER IRC PLOT.svg
• 02:43, 23 October 2013 Sam11 talk contribs uploaded File:MINIMUM ENERGY CONFORMER IRC POINT 1 MOL.mol
• 20:25, 22 October 2013 Sam11 talk contribs uploaded File:Hartree fock with checked bond lengths.mol
• 18:24, 22 October 2013 Sam11 talk contribs uploaded File:D trial 3 AGAIN TO SEE ENERGY ETC.mol
• 18:02, 22 October 2013 Sam11 talk contribs uploaded File:Changed angles of 2 part e TS optimisation GST2 Never.mol
• 18:00, 22 October 2013 Sam11 talk contribs uploaded File:Drawing boat structure 2ND TIME.PNG
• 17:57, 22 October 2013 Sam11 talk contribs uploaded File:Boat structure with surfaces.PNG
• 17:54, 22 October 2013 Sam11 talk contribs uploaded File:-839 vibration of boat transition structure.gif
• 17:20, 22 October 2013 Sam11 talk contribs uploaded File:2 part e TS optimisation GST2 Never.mol
• 17:18, 22 October 2013 Sam11 talk contribs uploaded File:Optimisation 6 with frozen bonds.gjf
• 17:17, 22 October 2013 Sam11 talk contribs uploaded File:Drawing boat structure.PNG
• 13:16, 22 October 2013 Sam11 talk contribs uploaded File:-817 frequency rotation.gif
• 16:57, 21 October 2013 Sam11 talk contribs uploaded File:IR spectrum part g.JPG
• 16:33, 21 October 2013 Sam11 talk contribs uploaded a new version of File:Antiperiplanar C2 symmetry hexa-1,5-diene Ci symmetry.mol
• 16:31, 21 October 2013 Sam11 talk contribs uploaded a new version of File:Antiperiplanar C2 symmetry hexa-1,5-diene Ci symmetry.mol
• 16:29, 21 October 2013 Sam11 talk contribs uploaded File:321g hf.mol
• 15:22, 21 October 2013 Sam11 talk contribs uploaded File:Antiperiplanar C2 symmetry hexa-1,5-diene Ci symmetry.mol (Antiperiplanar 1,5-hexadiene Ci symmetry)
• 15:04, 21 October 2013 Sam11 talk contribs uploaded File:Gauche 3 hexadiene.mol (Gauche4 1,5-hexadiene conformation )
• 14:35, 21 October 2013 Sam11 talk contribs uploaded File:Antiperiplanar C2 symmetry hexa-1,5-diene.mol (Antiperiplanar C2 symmetry of 1,5-hexadiene)