Main public logs
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- 09:30, 14 November 2013 Sam11 talk contribs uploaded File:2nd lowest energy taxol conformation.PNG
- 09:16, 14 November 2013 Sam11 talk contribs uploaded File:Lowest energy taxol conformation.png
- 09:03, 14 November 2013 Sam11 talk contribs uploaded File:Taxol 5 carbonyl upward B=eclipsed, C= chair.cml
- 08:42, 14 November 2013 Sam11 talk contribs uploaded File:Taxol 5 carbonyl downward B=eclipsed, C= chair.cml
- 08:24, 14 November 2013 Sam11 talk contribs uploaded File:Taxol carbonyl downward B = eclipsed, C= chair 138.43313.cml
- 06:59, 14 November 2013 Sam11 talk contribs uploaded File:Taxol carbonyl downward B = eclipsed, C= chair 138.43466.cml
- 06:42, 14 November 2013 Sam11 talk contribs uploaded a new version of File:Molecule 3 hydrogens.PNG
- 06:25, 14 November 2013 Sam11 talk contribs uploaded File:Molecule 3 hydrogens.PNG
- 01:22, 14 November 2013 Sam11 talk contribs uploaded File:Part 1 molecule 4.cml
- 01:21, 14 November 2013 Sam11 talk contribs uploaded File:Part 1 molecule 3.cml
- 01:19, 14 November 2013 Sam11 talk contribs uploaded File:Part 1 molecule 2.cml
- 01:17, 14 November 2013 Sam11 talk contribs uploaded File:Part 1 molecule 1.cml
- 01:03, 14 November 2013 Sam11 talk contribs uploaded a new version of File:Molecule 4 hydrogens.PNG
- 00:44, 14 November 2013 Sam11 talk contribs uploaded File:Molecule 4 hydrogens.PNG
- 20:38, 13 November 2013 Sam11 talk contribs uploaded File:Molecule 4.PNG
- 20:02, 13 November 2013 Sam11 talk contribs uploaded File:Molecule 2.PNG
- 19:55, 13 November 2013 Sam11 talk contribs uploaded File:Molecule 1.PNG
- 19:27, 13 November 2013 Sam11 talk contribs uploaded a new version of File:MMFF taxol carbonyl downward envelope chair 89.98187.cml
- 19:24, 13 November 2013 Sam11 talk contribs uploaded File:MMFF taxol carbonyl downward envelope chair 89.98187.cml
- 16:53, 1 November 2013 Sam11 talk contribs uploaded File:QST3 result dft.mol
- 15:53, 1 November 2013 Sam11 talk contribs uploaded File:QST3 RESULT HF.mol
- 15:50, 1 November 2013 Sam11 talk contribs uploaded File:QST3.mol
- 15:26, 1 November 2013 Sam11 talk contribs uploaded File:Endo TS TS berny.mol
- 14:55, 1 November 2013 Sam11 talk contribs uploaded File:Product Diels Alder.mol
- 14:19, 1 November 2013 Sam11 talk contribs uploaded a new version of File:Molecule 2.mol
- 14:19, 1 November 2013 Sam11 talk contribs uploaded a new version of File:Molecule 1.mol
- 12:30, 1 November 2013 Sam11 talk contribs uploaded File:Qst3 trial 1 HF in water.mol
- 12:30, 1 November 2013 Sam11 talk contribs uploaded File:QST3 TRIAL 1 HF in water.mol
- 10:45, 1 November 2013 Sam11 talk contribs uploaded File:-530,37 im freq dft.gif
- 10:29, 1 November 2013 Sam11 talk contribs uploaded File:OPTIMISATION AGAIN ANTI2 DFT.mol
- 10:19, 1 November 2013 Sam11 talk contribs uploaded File:Optimisation again anti2.mol
- 10:19, 1 November 2013 Sam11 talk contribs uploaded File:Starting conformations anti2 boat ts.mol
- 05:15, 1 November 2013 Sam11 talk contribs uploaded File:Opt frozen coords.mol
- 04:58, 1 November 2013 Sam11 talk contribs uploaded a new version of File:Product endo DFT.mol
- 04:58, 1 November 2013 Sam11 talk contribs uploaded a new version of File:Product endo HF 3-21G.mol
- 04:02, 1 November 2013 Sam11 talk contribs uploaded a new version of File:IRC AM1 optimisation trial 2 product before optimisation.mol
- 04:02, 1 November 2013 Sam11 talk contribs uploaded a new version of File:Imaginary freequency -43.09 product.gif
- 04:02, 1 November 2013 Sam11 talk contribs uploaded File:Hf trial 1 PROD.mol
- 03:19, 1 November 2013 Sam11 talk contribs uploaded File:Symmetrised 2 optimising butadiene AM1.mol
- 02:52, 1 November 2013 Sam11 talk contribs uploaded File:TS optimisation AM1-hf USE THIS ONE.mol
- 02:50, 1 November 2013 Sam11 talk contribs uploaded File:TS optimisation AM1-hf USE THIS ONE.gjf
- 02:04, 1 November 2013 Sam11 talk contribs uploaded File:Hf USE THIS ONE OPT unFROZEN AM1.mol
- 00:33, 1 November 2013 Sam11 talk contribs uploaded File:Frozen-unfrozen imaginary freq-818,37.gif
- 00:30, 1 November 2013 Sam11 talk contribs uploaded File:Ts hf trial 1 taking result from trial 1 2nd optimisation.mol
- 00:07, 1 November 2013 Sam11 talk contribs uploaded File:Ts hf trial 1.mol
- 00:07, 1 November 2013 Sam11 talk contribs uploaded File:Ts hf trial 2 forzen-unfrozen ts.mol
- 00:07, 1 November 2013 Sam11 talk contribs uploaded File:Ts hf trial 1 taking result from trial 1.mol
- 00:07, 1 November 2013 Sam11 talk contribs uploaded File:Frozen-unfrozen imaginary freq-818,22.gif
- 12:21, 31 October 2013 Sam11 talk contribs uploaded File:Prod energy.mol
- 11:34, 31 October 2013 Sam11 talk contribs uploaded File:Prod IR spectrum.svg
