Main public logs

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14:34, 20 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Borazine by colour.PNG
16:46, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nbo by colour.PNG
16:38, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Pyridinium mo output.fchk
16:25, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Infrared spectrum.PNG
15:55, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Pyridinium opt hpc output.log
14:55, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Mo boratabenzene hpcout.log
14:52, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Boratabenzene nbo analysis.PNG
14:37, 19 November 2012 Ll4310 talk contribs uploaded File:Ll310 Mo boratabenzene chkfile hpcout.fchk
13:13, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Borazabenzene opt hpc out.log
12:50, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Benzene logfrompopanalysis hpc.log
12:44, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Benzene coloured by charge.PNG
12:11, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Ir spectrum of benzene.PNG
09:32, 19 November 2012 Ll4310 talk contribs uploaded File:Ll4310 BH3 OPTIMISATION LL4310 631G DP.LOG
21:51, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 BH3NH3 FREQUENCY.LOG
21:25, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 BH3NH3 OPTIMISATION.LOG
20:26, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 NH3 colourdistrib 1.125symm.PNG
19:50, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 NH3 MO.LOG
19:40, 18 November 2012 Ll4310 talk contribs uploaded File:LANA NH3 FREQ - COPY.LOG
19:19, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Ir spectrum NH3.PNG
19:17, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib6.gif
19:17, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib5.gif
19:17, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib4.gif
19:16, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib3.gif
19:16, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib2.gif
19:16, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Nh3 vib1.gif
19:00, 18 November 2012 Ll4310 talk contribs uploaded File:LANA NH3 FREQ.LOG (frequency log file)
18:40, 18 November 2012 Ll4310 talk contribs uploaded File:Ll4310NH3 OPT.LOG (NH3 optimisation log file)
15:35, 16 November 2012 Ll4310 talk contribs uploaded File:Ir spectrum tlbr3.PNG
15:03, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib6.gif
15:02, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib5.gif
15:02, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib4.gif
15:02, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib3.gif
15:01, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib2.gif
15:00, 16 November 2012 Ll4310 talk contribs uploaded File:Ll4310TlBr3 vib1.gif
15:57, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 IR Spectrum.PNG
15:16, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 6.gif
15:15, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 5.gif
15:15, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 4.gif
15:15, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 3.gif
15:14, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 2.gif
15:13, 15 November 2012 Ll4310 talk contribs uploaded File:Ll4310 Vib 1.gif
14:31, 15 November 2012 Ll4310 talk contribs uploaded File:LL4310 BH3 FREQ2.LOG
13:22, 15 November 2012 Ll4310 talk contribs uploaded File:LANALEE BH3 FREQ.LOG
13:18, 15 November 2012 Ll4310 talk contribs uploaded File:Lanalee bh3 freq.gjf (Frequency analysis of the optimised BH3 molecule.)
12:30, 14 November 2012 Ll4310 talk contribs uploaded File:TlBr3 Optimisation ll4310 using HPC.log (TlBr3 optimisation)
09:22, 14 November 2012 Ll4310 talk contribs uploaded File:BH3 OPTIMISATION ll4310 631g dp.gjf (BH3 using the 6-31G(d,p) basis set)
14:22, 13 November 2012 Ll4310 talk contribs uploaded File:Gradientvsoptimisationll4310.PNG (Graph showing force vs optimisation step)
14:22, 13 November 2012 Ll4310 talk contribs uploaded File:Totalenergyvsoptimisationll4310.PNG (Graph showing total energy vs optimisation)
15:05, 12 November 2012 Ll4310 talk contribs uploaded File:BH3 OPTIMISATION ll4310.LOG (A Gaussview image of the optimised BH3 molecule)
14:27, 12 November 2012 Ll4310 talk contribs uploaded a new version of File:BH3 OPTIMISATION.LOG