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• 13:07, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexafteropt2tim.jpg (Cis Mo complex after second optimisation.)
• 12:22, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexjmoltim.mol (Trans Mo complex after the first optimisation Jmol.)
• 12:21, 14 March 2011 Tna08 talk contribs uploaded File:TransMocomplexafteropt1tim.jpg (Trans complex after the first optimisation.)
• 12:21, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexjmoltim.mol (Cis Mo complex after the first optimisation Jmol.)
• 12:20, 14 March 2011 Tna08 talk contribs uploaded File:CisMocomplexafteropt1tim.jpg (Cis Mo complex after first optimisation.)
• 21:23, 13 March 2011 Tna08 talk contribs uploaded File:TlBr3 frequency outputtim.jpg (Fig. 13: A screenshot of the frequency output file for the Thallium bromide.)
• 20:43, 13 March 2011 Tna08 talk contribs uploaded File:TLBR3FREQ2tim.LOG (TlBr3 Frequency optimisation output file.)
• 19:46, 13 March 2011 Tna08 talk contribs uploaded File:TLBR3FREQtim.LOG (The output file for the frequency analysis of Thallium bromide.)
• 19:42, 13 March 2011 Tna08 talk contribs uploaded File:TlBr output summary finaltim2.jpg (Fig. 12: The output summary from the TlBr3 optimisation. )
• 18:34, 13 March 2011 Tna08 talk contribs uploaded File:TLBR3jmoltim.mol (Optimised Thallium bromide Jmol.)
• 18:33, 13 March 2011 Tna08 talk contribs uploaded File:TlBr3 Optimisedtim.jpg (Optimised structure of Thallium bromide.)
• 17:43, 13 March 2011 Tna08 talk contribs uploaded File:TlBr output summary finaltim.jpg (Fig. 11: The output summary from the TlBr3 optimisation. )
• 18:33, 12 March 2011 Tna08 talk contribs uploaded File:TLBR3.LOG (ThBr3 optimisation output file)
• 18:30, 12 March 2011 Tna08 talk contribs uploaded File:TlBr output summary.jpg (Fig. 11: The output summary from the TlBr3 optimisation)
• 18:51, 11 March 2011 Tna08 talk contribs uploaded File:BH3FreqAnalysistim.LOG (BH3 Frequency Analysis log file)
• 17:30, 11 March 2011 Tna08 talk contribs uploaded File:BH3 IR Spectrumtim.jpg (Fig. 10 : The IR Spectrum for BH3 as produced by Gaussian.)
• 22:42, 10 March 2011 Tna08 talk contribs uploaded File:BH3 NBO output filescreenshottim.jpg (Figure. 8: A screen shot of the relevant part of the output file for the NBO analysis.)
• 21:24, 10 March 2011 Tna08 talk contribs uploaded File:BH3 NBO with shading for chargetim.jpg (Fig. 6: The BH3 molecule with shading to show the charge and the charge numbers.)
• 21:11, 10 March 2011 Tna08 talk contribs uploaded File:BH3 NBOtim.LOG (Log file for NBO analysis)
• 21:06, 10 March 2011 Tna08 talk contribs uploaded File:BH3 MOStim.LOG (MO Analysis Log file)
• 20:58, 10 March 2011 Tna08 talk contribs uploaded File:Optimisation tim.LOG (BH3 optimisation.)
• 20:54, 10 March 2011 Tna08 talk contribs uploaded File:BH3 ATTEMPT 2 MOS.LOG
• 20:31, 10 March 2011 Tna08 talk contribs uploaded File:MO diagram for BH3 Finaltim.jpg (Fig. 4: The MO diagram for BH3.)
• 20:29, 10 March 2011 Tna08 talk contribs uploaded File:BH3 chemdrawtim.cdx (Fig. 4: The MO diagram for BH3.)
• 22:42, 9 March 2011 Tna08 talk contribs uploaded File:BH3 ATTEMPT 2 MOS TRY 2.LOG
• 22:34, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 6tim.jpg (LUMO+1)
• 22:33, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 8tim.jpg (LUMO+2)
• 22:33, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 7tim.jpg (LUMO+1)
• 22:33, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 5tim.jpg (LUMO)
• 22:32, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 4tim.jpg (BH3 HOMO)
• 22:32, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 3tim.jpg (BH3 HOMO-1)
• 22:31, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 2tim.jpg (BH3 HOMO-2 )
• 22:28, 9 March 2011 Tna08 talk contribs uploaded File:BH3 MO 1tim.jpg (BH3 HOMO-3)
• 19:56, 9 March 2011 Tna08 talk contribs uploaded File:MO diagram for BH3 2tim.jpg (Fig. 4: MO diagram for borane.)
• 19:52, 9 March 2011 Tna08 talk contribs uploaded File:MO diagram for BH3Tim.jpg
• 16:32, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 5.jpg (Step 5 jpg)
• 16:31, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 5 Jmol.mol (Step 5 Jmol)
• 16:31, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 4.jpg (Step 4 jpg)
• 16:29, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 4 Jmol.mol (Step 4 Jmol)
• 16:28, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 3.jpg (Step 3 jpg)
• 16:28, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 3 Jmol.mol (Step 3 Jmol)
• 16:28, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 2.jpg (Step 2 jpg)
• 16:27, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 2 Jmol.mol (Step 2 Jmol)
• 16:27, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 1 Jmol.mol (Step 1 Jmol)
• 16:27, 9 March 2011 Tna08 talk contribs uploaded File:Borane opt 1.jpg (Step 1 jpg)
• 15:44, 9 March 2011 Tna08 talk contribs uploaded File:Optimisation graphs.jpg (Fig. 2: The Total Energy and RMS graphs produced by the optimisation of BH₃ )
• 14:55, 9 March 2011 Tna08 talk contribs uploaded File:Borane after optimisation 2.jpg (Fig. 1: Image of Borane after optimisation.)
• 14:50, 9 March 2011 Tna08 talk contribs uploaded File:Borane after optimisation jmol.mol (Fig. 1: Jmol of Borane after optimisation.)
• 14:49, 9 March 2011 Tna08 talk contribs uploaded File:Borane after optimisation.jpg (Fig. 1: Borane after optimisation )
• 19:10, 4 March 2011 Tna08 talk contribs uploaded File:Picture 15 MOs of 12 from PM6 2.jpg (Fig. 14: The molecular orbitals obtained using PM6. The top row is, from left to right, HOMO-2, HOMO-1 and HOMO. The bottom row is, from left to right, LUMO, LUMO+1 and LUMO+2.)