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18:03, 1 February 2015 Bg1512 talk contribs uploaded File:ILanim picture 12.png (An initial Monte Carlo simulation of an 8x8 Lattice at 1.0K.)
12:05, 30 January 2015 Bg1512 talk contribs uploaded File:Mag plots.png (The magnetisation per spin vs. temperature for a number of lattice sizes.)
11:31, 30 January 2015 Bg1512 talk contribs uploaded File:Curie Temp.png (The variation of the critical temperature with lattice size.)
10:44, 30 January 2015 Bg1512 talk contribs uploaded File:ILanim picture 8.png (An initial Monte Carlo simulation of an 8x8 Lattice at 1.0K.)
10:26, 30 January 2015 Bg1512 talk contribs uploaded a new version of File:Ref 4x4 Capacity.png (A comparison between simulated and reference value for the heat capacity per spin of a 4x4 Lattice.)
10:25, 30 January 2015 Bg1512 talk contribs uploaded a new version of File:Fit1 30.png (A polynomial fit for heat capacity of the 32x32 Lattice against temperature.)
10:24, 30 January 2015 Bg1512 talk contribs uploaded a new version of File:Fit2 4.png (A polynomial fit of restricted range for the heat capacity of the 32x32 Lattice against temperature.)
10:22, 30 January 2015 Bg1512 talk contribs uploaded File:Fit2 4.png (A polynomial fit of restricted range for the heat capacity of the 32x32 Lattice against temperature.)
10:21, 30 January 2015 Bg1512 talk contribs uploaded File:Fit1 30.png (A polynomial fit for heat capacity of the 32x32 Lattice against temperature.)
10:16, 30 January 2015 Bg1512 talk contribs uploaded File:Ref 4x4 Capacity.png (A comparison between simulated and reference value for the heat capacity per spin of a 4x4 Lattice.)
10:16, 30 January 2015 Bg1512 talk contribs uploaded File:Ref 4x4 Magnetisation.png (A comparison between simulated and reference value for the magnetisation per spin of a 4x4 Lattice.)
10:15, 30 January 2015 Bg1512 talk contribs uploaded File:Ref 4x4 Energy.png (A comparison between simulated and reference values for the energy per spin of a 4x4 Lattice.)
10:09, 30 January 2015 Bg1512 talk contribs uploaded a new version of File:ILheatcapacity.png
10:07, 30 January 2015 Bg1512 talk contribs uploaded File:ILheatcapacity.png
09:56, 30 January 2015 Bg1512 talk contribs uploaded File:Energy plots.png (A plot of the energies per spin against temperature for a number of lattice sizes.)
09:39, 30 January 2015 Bg1512 talk contribs uploaded File:ILplot 8x8.png (The energy and magnetisation per spin against temperature of an 8x8 Ising lattice.)
09:33, 30 January 2015 Bg1512 talk contribs uploaded File:Final frame temp varied.png (The output of the ILfinalfram.py script for an 8x8 lattice at temperatures 1.0K (a), 2.0K(b) and 32x32(c).)
09:17, 30 January 2015 Bg1512 talk contribs uploaded File:Final frame temp 1.png (The output of the ILfinalframe,py script for lattices of sizes 8x8 (a), 16x16(b) and 32x32(c) at 1.0 K. Equilibration is achieved in each case.)
16:36, 23 January 2015 Bg1512 talk contribs uploaded File:ILcheck picture.png (A test of the energy() and magnetisation() functions. The calculated values were compared to ab-initio solutions.)
15:39, 23 January 2015 Bg1512 talk contribs uploaded File:Periodic Lattice.jpg (An illustration of the lattice transformation used to emulate periodic boundary conditions.)
11:22, 19 December 2014 Bg1512 talk contribs uploaded File:MDAlpha2.PNG (The thermal expansion coefficient of MgO in the range of 15-700K calculated via MD.)
11:21, 19 December 2014 Bg1512 talk contribs uploaded File:MDAlpha.PNG (The thermal expansion coefficient calculated by MD.)
11:20, 19 December 2014 Bg1512 talk contribs uploaded File:MDEnergy.PNG (The energy of MgO calculated by MD.)
11:17, 19 December 2014 Bg1512 talk contribs uploaded File:MDVolume.PNG (The volume of MgO calculated via MD.)
10:06, 19 December 2014 Bg1512 talk contribs uploaded File:Comparison Volume.PNG (A comparison of the cell volume of MgO calculated via DOS and MD.)
09:21, 19 December 2014 Bg1512 talk contribs uploaded File:DOSAlpha.PNG (The Thermal Expansion Coefficient of MgO calculated via the DOS approach.)
09:17, 19 December 2014 Bg1512 talk contribs uploaded File:DOSLatticeConstant.PNG (The lattice constant of MgO computed via the DOS approach.)
09:13, 19 December 2014 Bg1512 talk contribs uploaded File:DOSEnergy.PNG (The free energy of the MgO lattice calculated via the DOS approach.)
21:37, 18 December 2014 Bg1512 talk contribs uploaded File:DOSprogression.png (The DOS of MgO approaches a continuous function as the gridsize increases.)
19:15, 18 December 2014 Bg1512 talk contribs uploaded File:DOS1cubed.jpg (The DOS of MgO calculated with a gridsize of 1x1x1.)
18:40, 18 December 2014 Bg1512 talk contribs uploaded File:Dispersion3.jpg (A dispersion relation for MgO.)
16:33, 8 December 2014 Bg1512 talk contribs uploaded File:Phonon4 Dispersion.ai (Dispersion Relation Graph of MgO conventional unit cell.)
10:54, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Exo DA HOMO.jpg (The exo TS HOMO.)
10:49, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu bond lengths 2 diagram2.jpg (More visible arrows on this version, better overview.)
10:37, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Orbital Stabilisation.jpg (The HOMO of the new endo TS shows slight overlap between the conjugated double bonds and the oxygen antibonding orbital.)
10:28, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu bond lengths 2 diagram.jpg (A new bond length diagram for the new Endo TS.)
10:23, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Endo DA 2.gif (A new Endo TS was found, with a much more plausible frequency. This is the animation of its characteristic frequency.)
09:08, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu bond lengths.jpg (A diagram detailing the bond lengths of the endo TS.)
08:45, 7 November 2014 Bg1512 talk contribs uploaded a new version of File:Gugu Anhydride Scheme.jpg (The second version of the Diels-Alder Anhydride reaction scheme.)
08:37, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Orbital Interaction.jpg (This drawing depicts the secondary orbital interaction in a Diels-Alder reaction.)
08:09, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Butadine LUMO 2.jpg (The LUMO of cis-Butadiene.)
08:01, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Butadiene LUMO top.jpg (A topview of the cis-Butadiene LUMO.)
08:01, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Butadiene HOMO.jpg (The HOMO of cis-Butadiene.)
06:25, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Cope Scheme.jpg (The reaction scheme for the Cope rearrangement.)
06:18, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Anhydride Scheme.jpg (The reaction scheme for the Diels-Alder reaction to form the maleic anhydride adduct.)
06:17, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Cyclohexene Scheme.jpg (The reaction scheme for the Diels-Alder reaction to produce cyclohexene.)
04:59, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Exo DA.gif (The characteristic vibration of an exo TS in a Diels-Alder reaction.)
04:59, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Endo DA.gif (The characteristic vibration of an endo TS in a Diels-Alder reaction.)
04:59, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Cyclohexene.gif (The characteristic vibration of the cyclohexene TS in a Diels-Alder reaction.)
04:56, 7 November 2014 Bg1512 talk contribs uploaded File:Gugu Chair IRC.gif (An animation of the IRC calculation starting from the chair-TS in a Cope rearrangement.)