Main public logs

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• 13:33, 22 March 2011 Tna08 talk contribs uploaded File:ANTI2DFTOPTtim.LOG
• 13:33, 22 March 2011 Tna08 talk contribs uploaded File:ANTI2HFOPTtim.LOG
• 13:32, 22 March 2011 Tna08 talk contribs uploaded File:GAUCHEOPT1tim.LOG
• 13:30, 22 March 2011 Tna08 talk contribs uploaded File:ANTIOPT1tim.LOG
• 12:07, 22 March 2011 Tna08 talk contribs uploaded File:Anti3 hf opttim.jpg
• 12:06, 22 March 2011 Tna08 talk contribs uploaded File:Anti3 dft opttim.jpg
• 12:06, 22 March 2011 Tna08 talk contribs uploaded File:ANTI2HFOPT jmoltim.mol
• 12:05, 22 March 2011 Tna08 talk contribs uploaded File:ANTI2DFTOPT jmoltim.mol
• 22:21, 21 March 2011 Tna08 talk contribs uploaded File:Gauche3opt1 jmoltim.mol (Gauche jmol)
• 22:21, 21 March 2011 Tna08 talk contribs uploaded File:Gauche3opt1tim.jpg (Gauche 3 opt picture)
• 21:34, 21 March 2011 Tna08 talk contribs uploaded File:Antiopt1 jmoltim.mol (Anti 1 jmol)
• 21:33, 21 March 2011 Tna08 talk contribs uploaded File:Antiopt1tim.jpg (Anti opt 1)
• 16:57, 18 March 2011 Tna08 talk contribs uploaded File:Diborane chargestim.jpg (Fig 24: diborane charges)
• 16:52, 18 March 2011 Tna08 talk contribs uploaded File:B2H6FREQUENCYtim.LOG (diborane freq output)
• 16:51, 18 March 2011 Tna08 talk contribs uploaded File:B2H6MOtim.LOG (diborane MO output)
• 16:36, 18 March 2011 Tna08 talk contribs uploaded File:Diborane IRtim.jpg (Fig. 24: The IR spectrum for diborane, as produced by the calculation.)
• 22:18, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 12tim.jpg
• 22:18, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 11tim.jpg
• 22:17, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 10tim.jpg
• 22:17, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 9tim.jpg
• 22:17, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 8tim.jpg
• 22:17, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 7tim.jpg
• 22:17, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 6tim.jpg
• 22:16, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 5tim.jpg
• 22:16, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 4tim.jpg
• 22:16, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 3tim.jpg
• 22:16, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 2tim.jpg
• 22:15, 17 March 2011 Tna08 talk contribs uploaded File:DiboraneMO 1tim.jpg
• 21:49, 17 March 2011 Tna08 talk contribs uploaded File:MO diagram of diborane.jpg (Fig. 22: MO diagram of diborane.)
• 19:39, 17 March 2011 Tna08 talk contribs uploaded File:Diboraneoutputfile tim.LOG (Output file from the optimisation on Diborane)
• 19:23, 17 March 2011 Tna08 talk contribs uploaded File:B2H6Sumandpicture.jpg (B2H6 Picture on the left and summary on the right.)
• 19:20, 17 March 2011 Tna08 talk contribs uploaded File:B2H6jmol.mol (B2H6 jmol after optimisation.)
• 21:42, 14 March 2011 Tna08 talk contribs uploaded File:Trans isomer low frequenciestim.jpg (Trans isomer low frequencies screenshot.)
• 21:41, 14 March 2011 Tna08 talk contribs uploaded File:Cis isomer low frequenciestim.jpg (Cis isomer Low Frequencies screenshot.)
• 18:57, 14 March 2011 Tna08 talk contribs uploaded File:Trans isomer summary and picture opt2.jpg (Trans isomer summary and picture for second optimisation.)
• 18:56, 14 March 2011 Tna08 talk contribs uploaded File:Cis isomer summary and picture opt2.jpg (Cis isomer summary and picture for second optimisation.)
• 18:55, 14 March 2011 Tna08 talk contribs uploaded File:Trans isomer summary and picture opt1.jpg (Trans isomer summary and picture for optimisation 1.)
• 18:54, 14 March 2011 Tna08 talk contribs uploaded File:Cis isomer summary and picture opt1.jpg (Cis isomer summary and picture for first optimisation.)
• 17:38, 14 March 2011 Tna08 talk contribs uploaded File:Cis and trans isomers chemdrawtim.jpg (Fig. 14: The molecular structures of the two isomers being modelled. The cis isomer is on the left and the trans isomer is on the right. )
• 16:49, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexIRSpectrumtim.jpg (Trans Mo complex IR Spectrum)
• 16:48, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexIRSpectrumtimarbab.jpg (cis Mo complex IR Spectrum)
• 16:48, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexIRSpectrumtim.jpg (cis Mo complex IR spectrum)
• 15:54, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexfreqtim.out (trans frequency output file)
• 15:51, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexfreqtim.out (cis complex frequency output file.)
• 14:33, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexafteropt1finaltim.jpg (Trans Mo isomer after the first optimisation.)
• 14:31, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexafteropt1finaljpgtim.jpg (Final cis Mo complex after first optimisation.)
• 14:28, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexafteropt2finaljpgtim.jpg (Cis Mo complex after second optimisation.)
• 13:09, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexopt2jmoltim.mol (Trans Mo complex after second optimisation Jmol.)
• 13:08, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexafteropt2.jpg (Trans Mo complex after second optimisation.)
• 13:08, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexopt2jmoltim.mol (Cis Mo complex after opt 2 Jmol.)