Main public logs

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• 19:12, 29 October 2013 Sam11 talk contribs uploaded File:HOMO 1 SM.PNG
• 19:07, 29 October 2013 Sam11 talk contribs uploaded File:LUMO 1 SM.PNG
• 19:06, 29 October 2013 Sam11 talk contribs uploaded File:Homo sm.PNG
• 19:05, 29 October 2013 Sam11 talk contribs uploaded File:Homo 2 sm.PNG
• 19:03, 29 October 2013 Sam11 talk contribs uploaded File:Lumo 2 sm.PNG
• 18:58, 29 October 2013 Sam11 talk contribs uploaded File:Lumo sm.PNG
• 18:46, 29 October 2013 Sam11 talk contribs uploaded File:MO ORDERING.PNG
• 18:45, 29 October 2013 Sam11 talk contribs uploaded File:MO ORDERING.svg
• 18:43, 29 October 2013 Sam11 talk contribs uploaded File:Product endo DFT.mol
• 18:40, 29 October 2013 Sam11 talk contribs uploaded File:Product exo DFT.mol
• 17:49, 29 October 2013 Sam11 talk contribs uploaded File:IR EXO DFT.svg
• 17:47, 29 October 2013 Sam11 talk contribs uploaded File:IMAGINARY FREQ DFT EXO.gif
• 17:40, 29 October 2013 Sam11 talk contribs uploaded File:QST3 TRIAL 1 HF.mol
• 17:39, 29 October 2013 Sam11 talk contribs uploaded File:QST3 TRIAL 1 DFT.mol
• 17:06, 29 October 2013 Sam11 talk contribs uploaded File:IR DFT.svg
• 17:04, 29 October 2013 Sam11 talk contribs uploaded a new version of File:IMAGINARY FREQUENCY DFT.gif
• 17:02, 29 October 2013 Sam11 talk contribs uploaded File:IMAGINARY FREQUENCY DFT.gif
• 16:49, 29 October 2013 Sam11 talk contribs uploaded File:Qst3 trial 1 DFT B3LP.mol
• 16:27, 29 October 2013 Sam11 talk contribs uploaded File:Qst3 trial 1 HF.mol
• 16:17, 29 October 2013 Sam11 talk contribs uploaded File:Qst2 trial 5 renumbered opt ts hf.mol
• 15:41, 29 October 2013 Sam11 talk contribs uploaded File:GUESS STRUCTURE TRIAL 4 OPT HF 321G.mol
• 15:20, 29 October 2013 Sam11 talk contribs uploaded File:Product endo HF 3-21G.mol
• 15:10, 29 October 2013 Sam11 talk contribs uploaded File:Product exo HF 3-21G.mol
• 09:48, 29 October 2013 Sam11 talk contribs uploaded a new version of File:Gauche 3 hexadiene.mol
• 17:53, 28 October 2013 Sam11 talk contribs uploaded File:Opt frozen and then derivatised coords.mol
• 17:15, 28 October 2013 Sam11 talk contribs uploaded File:Imaginary frequency guess TS.gif
• 17:14, 28 October 2013 Sam11 talk contribs uploaded File:GUESS STRUCTURE TRIAL 4 OPT.mol
• 16:19, 28 October 2013 Sam11 talk contribs uploaded File:TS AM1 EXO non-real qst2.PNG
• 16:15, 28 October 2013 Sam11 talk contribs uploaded File:TS AM1 EXO non-real qst2 arrangement.PNG
• 15:58, 28 October 2013 Sam11 talk contribs uploaded File:Vibrational frequency imaginary.gif
• 15:36, 28 October 2013 Sam11 talk contribs uploaded File:TS AM1 EXO.PNG
• 15:15, 28 October 2013 Sam11 talk contribs uploaded File:Vibrational frequency imaginary -817.gif
• 15:09, 28 October 2013 Sam11 talk contribs uploaded File:Qst2 trial 5 renumbered.mol
• 04:36, 28 October 2013 Sam11 talk contribs uploaded File:MO diagram for HOM-LUMO cross over.png
• 04:35, 28 October 2013 Sam11 talk contribs uploaded a new version of File:MO diagram for HOM-LUMO cross over once more.png
• 04:32, 28 October 2013 Sam11 talk contribs uploaded File:MO diagram for HOM-LUMO cross over once more.png
• 04:13, 28 October 2013 Sam11 talk contribs uploaded File:Lumo of ts.PNG
• 04:10, 28 October 2013 Sam11 talk contribs uploaded File:Homo of ts.PNG
• 04:06, 28 October 2013 Sam11 talk contribs uploaded File:Mo ordering of orbitals and energies.svg
• 04:05, 28 October 2013 Sam11 talk contribs uploaded File:SM ETHENE LUMO.PNG
• 04:03, 28 October 2013 Sam11 talk contribs uploaded File:SM ETHENE HOMO.PNG
• 03:57, 28 October 2013 Sam11 talk contribs uploaded a new version of File:Homo.tif
• 03:33, 28 October 2013 Sam11 talk contribs uploaded File:IRC AM1 optimisation trial 2 product before optimisation.mol
• 03:23, 28 October 2013 Sam11 talk contribs uploaded File:Imaginary freequency -50 reactant.gif
• 03:21, 28 October 2013 Sam11 talk contribs uploaded a new version of File:Imaginary freequency -26.82 reactant.gif
• 03:13, 28 October 2013 Sam11 talk contribs uploaded File:Imaginary freequency -26.82 reactant.gif
• 03:10, 28 October 2013 Sam11 talk contribs uploaded File:Imaginary freequency -43.09 product.gif
• 02:55, 28 October 2013 Sam11 talk contribs uploaded File:IRC Plot.svg
• 02:25, 28 October 2013 Sam11 talk contribs uploaded File:TS BERNY IMAGINARY FREQUENCY DFT B3LYP.gif
• 02:24, 28 October 2013 Sam11 talk contribs uploaded File:IR spectrum DFT B3LYP TS.svg