Main public logs
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- 13:07, 13 March 2018 Fd915 talk contribs uploaded a new version of File:Ex1 MO diagram.png
- 20:29, 12 March 2018 Fd915 talk contribs uploaded File:EXO FULL MOLECULE IRC ATTEMPT1.LOG
- 20:28, 12 March 2018 Fd915 talk contribs uploaded File:EXO FULL MOLECULE B3LYP SINGLEPOINTENERGY.LOG
- 20:28, 12 March 2018 Fd915 talk contribs uploaded File:ENDO MOLECULE B3LYP SINGLEPOINTENERGY.LOG
- 20:26, 12 March 2018 Fd915 talk contribs uploaded File:ENDO MOLECULE PM6 IRC ATTEMPT1.LOG
- 20:23, 12 March 2018 Fd915 talk contribs uploaded File:ENDO MOLECULE B3LYP FRESH TRANSITIONSTATE2.LOG
- 20:21, 12 March 2018 Fd915 talk contribs uploaded File:ENDO FULL MOLECULE INITIAL MINIMISATION B3LYP.LOG
- 20:19, 12 March 2018 Fd915 talk contribs uploaded File:EXO FULL MOLECULE B3LYP TRANSITIONSTATE.LOG
- 20:18, 12 March 2018 Fd915 talk contribs uploaded File:EXO FULL MOLECULE B3LYP MINIMISATION.LOG
- 20:17, 12 March 2018 Fd915 talk contribs uploaded File:CYCLOHEXADIENE REPEAT AGAIN B3LYP MINIMISATION.LOG
- 20:16, 12 March 2018 Fd915 talk contribs uploaded File:13DIOXOLE PROPER MINIMISATION B3LYP ATTEMPT3.LOG
- 20:12, 12 March 2018 Fd915 talk contribs uploaded a new version of File:Ex1 MO diagram.png
- 20:11, 12 March 2018 Fd915 talk contribs uploaded a new version of File:MO diagram.cdx
- 20:07, 12 March 2018 Fd915 talk contribs uploaded File:IRC FROM CYCLOHEXENE ATTEMPT1 BOTH WAYS.LOG
- 20:05, 12 March 2018 Fd915 talk contribs uploaded File:CYCLOHEXENE OPTIMISATION ATTEMPT4.LOG
- 20:03, 12 March 2018 Fd915 talk contribs uploaded a new version of File:BUTADIENE ETHENE TRANSITIONSTATE PM6.LOG
- 20:02, 12 March 2018 Fd915 talk contribs uploaded a new version of File:ETHENE MINIMISATION ATTEMPT1.LOG
- 14:42, 12 March 2018 Fd915 talk contribs uploaded a new version of File:Reaction scheme.png
- 14:17, 12 March 2018 Fd915 talk contribs uploaded a new version of File:Ex1 MO diagram.png
- 14:12, 12 March 2018 Fd915 talk contribs uploaded a new version of File:Ex1 MO diagram.png
- 13:56, 12 March 2018 Fd915 talk contribs uploaded a new version of File:Ex1 MO diagram.png
- 13:51, 12 March 2018 Fd915 talk contribs uploaded File:Ex1 MO diagram.png
- 13:37, 12 March 2018 Fd915 talk contribs uploaded a new version of File:MO diagram.cdx
- 15:43, 11 March 2018 Fd915 talk contribs uploaded File:BUTADIENE ETHENE TRANSITIONSTATE PM6.LOG
- 15:38, 11 March 2018 Fd915 talk contribs uploaded File:ETHENE MINIMISATION ATTEMPT1.LOG
- 15:37, 11 March 2018 Fd915 talk contribs uploaded a new version of File:CIS BUTADIENE ATTEMPT3.LOG
- 12:55, 11 March 2018 Fd915 talk contribs uploaded File:CIS BUTADIENE ATTEMPT3.LOG
- 01:05, 8 November 2017 Fd915 talk contribs uploaded File:MD plot of prim cell vol vs temp 100 - 1000K - new.png
- 01:03, 8 November 2017 Fd915 talk contribs uploaded File:QH plot of prim cell vol vs temp 0 - 1000K - new.png
- 00:47, 8 November 2017 Fd915 talk contribs uploaded File:MD plot of prim cell vol vs temp 100 - 1000K .png
- 00:45, 8 November 2017 Fd915 talk contribs uploaded File:QH plot of prim cell vol vs temp 0 - 1000K .png
- 15:47, 7 November 2017 Fd915 talk contribs uploaded File:Both MD and QH plots.png
- 22:26, 6 November 2017 Fd915 talk contribs uploaded File:E(k) vs k.PNG
- 10:34, 3 November 2017 Fd915 talk contribs uploaded File:Lattice constant vs. temp.png
- 10:33, 3 November 2017 Fd915 talk contribs uploaded File:Free energy (eV) vs temp.png
- 09:58, 3 November 2017 Fd915 talk contribs uploaded File:64x64x64 shrinking factor invert.png
- 09:58, 3 November 2017 Fd915 talk contribs uploaded File:32x32x32 shrinking factor invert.png
- 09:56, 3 November 2017 Fd915 talk contribs uploaded File:16x16x16 shrinking factor invert.png
- 09:56, 3 November 2017 Fd915 talk contribs uploaded File:8x8x8 shrinking factor invert.png
- 09:56, 3 November 2017 Fd915 talk contribs uploaded File:6x6x6 shrinking factor invert.png
- 09:56, 3 November 2017 Fd915 talk contribs uploaded File:5x5x5 shrinking factor invert.png
- 09:50, 3 November 2017 Fd915 talk contribs uploaded File:4x4x4 shrinking factor invert.png
- 09:49, 3 November 2017 Fd915 talk contribs uploaded File:3x3x3 shrinking factor invert.png
- 09:49, 3 November 2017 Fd915 talk contribs uploaded File:2x2x2 shrinking factor invert.png
- 09:39, 3 November 2017 Fd915 talk contribs uploaded File:First Phonon Disperson Curves Invert.png
- 09:27, 3 November 2017 Fd915 talk contribs uploaded File:1x1x1 shrinking factor invert.png
- 16:49, 30 October 2017 Fd915 talk contribs uploaded File:64x64x64 shrinking factor.PNG
- 16:39, 30 October 2017 Fd915 talk contribs uploaded File:32x32x32 shrinking factor.PNG
- 16:17, 30 October 2017 Fd915 talk contribs uploaded File:5x5x5 shrinking factor.PNG
- 16:12, 30 October 2017 Fd915 talk contribs uploaded File:3x3x3 shrinking factor.PNG
_vs_k.PNG){kind=link}
_vs_temp.png){kind=link}
