Main public logs
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- 19:37, 21 November 2013 Js4811 talk contribs uploaded a new version of File:10.png (Taxol structures.)
- 19:37, 21 November 2013 Js4811 talk contribs uploaded File:9b.png (Taxol structures.)
- 19:37, 21 November 2013 Js4811 talk contribs uploaded a new version of File:9.png (Taxol structures.)
- 19:16, 21 November 2013 Js4811 talk contribs uploaded a new version of File:4.cml (CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:16, 21 November 2013 Js4811 talk contribs uploaded File:3b.cml (CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:16, 21 November 2013 Js4811 talk contribs uploaded File:3a.cml (CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:16, 21 November 2013 Js4811 talk contribs uploaded File:Endo2.cml (CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:16, 21 November 2013 Js4811 talk contribs uploaded File:Exo1.cml (CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:10, 21 November 2013 Js4811 talk contribs uploaded a new version of File:4.png (Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:10, 21 November 2013 Js4811 talk contribs uploaded File:3b.png (Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:10, 21 November 2013 Js4811 talk contribs uploaded File:3a.png (Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:10, 21 November 2013 Js4811 talk contribs uploaded File:Endo2.png (Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 19:10, 21 November 2013 Js4811 talk contribs uploaded File:Exo1.png (Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 18:46, 21 November 2013 Js4811 talk contribs uploaded File:Cyclopentadienes.png (Structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form.)
- 16:08, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Ts guess 1 LUMO.cub.jvxl (desc2)
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Exo ts LUMO.cub.jvxl
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Exo ts 2 HOMO.cub.xyz
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Exo ts 2 HOMO.cub.jvxl
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Endo ts LUMO.cub.jvxl
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Endo ts HOMO.cub.xyz
- 16:06, 1 November 2013 Js4811 talk contribs uploaded File:Endo ts HOMO.cub.jvxl
- 16:04, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess 1 LUMO.cub.jvxl
- 15:15, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Ts lowest real.gif
- 15:13, 1 November 2013 Js4811 talk contribs uploaded File:Ts lowest real.gif
- 14:48, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Ts guess irc start.jpg
- 13:56, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Endo ts.gif
- 13:53, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Exo ts.gif
- 13:46, 1 November 2013 Js4811 talk contribs uploaded File:Exo ts.gif
- 13:46, 1 November 2013 Js4811 talk contribs uploaded File:Endo ts.gif
- 13:20, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess irc plot.jpg
- 13:20, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess irc start.jpg
- 13:20, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess irc end.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess 1 LUMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess 1 HOMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Ethene LUMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Ethene HOMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Cyclohexadiene LUMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Cyclohexadiene HOMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Cis-butadiene LUMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded a new version of File:Cis-butadiene HOMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded File:Anhydride LUMO.jpg
- 13:18, 1 November 2013 Js4811 talk contribs uploaded File:Anhydride HOMO.jpg
- 13:12, 1 November 2013 Js4811 talk contribs uploaded File:Ethene LUMO.tif
- 13:11, 1 November 2013 Js4811 talk contribs uploaded File:Ethene HOMO.tif
- 08:46, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess 1 HOMO.cub.xyz (Coordinates file for corresponding .jvxl file)
- 08:45, 1 November 2013 Js4811 talk contribs uploaded File:Ts guess 1 HOMO.cub.jvxl (HOMO orbital for Diels Alder transition state of butadiene and ethene)
- 08:34, 1 November 2013 Js4811 talk contribs uploaded File:Da ts 1.gif (Transition state structure of the Diels Alder reaction between butadiene and ethene. Visualisation of the imaginary frequency.)
- 10:57, 27 October 2013 Js4811 talk contribs uploaded File:Overlaid Anharmonic.png (Infrared spectrum of liquid 1,5-hexadiene film from the [http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi SDBS] overlaid with anharmonic frequency calculations at B3LYP/6-31G*.)
- 10:55, 27 October 2013 Js4811 talk contribs uploaded a new version of File:Spectra overlaid.png (Change: Fixed the overlay in the previous file, which was due to a confusing wavenumber axis. Infrared spectrum of liquid 1,5-hexadiene film from the [http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi SDBS] overlaid with calculations at B3LYP/6-31G)
- 21:39, 24 October 2013 Js4811 talk contribs uploaded File:Spectra overlaid.png (Infrared spectrum of liquid 1,5-hexadiene film from the [http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi SDBS] overlaid with calculations at B3LYP/6-31G* with scaling factor of 0.9613)
