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10:41, 14 March 2018 Jjr115 talk contribs uploaded File:AAAAAAAA vol temp jjr115 new.PNG
10:38, 14 March 2018 Jjr115 talk contribs uploaded File:Variation H with temp jjr115 NEW.PNG
17:22, 13 March 2018 Jjr115 talk contribs uploaded File:Thermal expansion coefficient all curves jjr115.PNG
17:07, 13 March 2018 Jjr115 talk contribs uploaded File:Polynomial eq from ref jjr115.PNG
14:00, 13 March 2018 Jjr115 talk contribs uploaded File:MD use this for curve jjr115.PNG
13:52, 13 March 2018 Jjr115 talk contribs uploaded File:MD vol vs temp corrected 2 jjr115.PNG
13:04, 13 March 2018 Jjr115 talk contribs uploaded File:MD volume vs temp corrected jjr115.PNG
12:57, 13 March 2018 Jjr115 talk contribs uploaded File:MD volume vs temp jjr115.PNG
09:46, 13 March 2018 Jjr115 talk contribs uploaded File:Constant vs temp jjr115.PNG
09:45, 13 March 2018 Jjr115 talk contribs uploaded File:Vol vs temp jjr115.PNG
09:42, 13 March 2018 Jjr115 talk contribs uploaded File:Variation free E with temp jjr115.PNG
19:18, 12 March 2018 Jjr115 talk contribs uploaded File:Convergence of Helmholtz Free Energy vs K Grid Size jjr115.PNG
18:36, 12 March 2018 Jjr115 talk contribs uploaded File:Acoustic optic jjr115.PNG
17:43, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 50x50x50 graph jjr115.PNG
17:42, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 24x24x24 graph jjr115.PNG
17:41, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 20x20x20 graph jjr115.PNG
17:35, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 5x5x5 graph jjr115.PNG
17:34, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 4x4x4 graph jjr115.PNG
17:34, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 3x3x3 graph jjr115.PNG
17:34, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 2x2x2 graph jjr115.PNG
17:34, 12 March 2018 Jjr115 talk contribs uploaded File:Phonon density of states 1x1x1 graph jjr115.PNG
16:25, 12 March 2018 Jjr115 talk contribs uploaded File:Computing phonon dispersion mode 117.PNG
16:21, 12 March 2018 Jjr115 talk contribs uploaded File:Computing phonon dispersion curves 1 graph.PNG
23:12, 11 March 2018 Jjr115 talk contribs uploaded File:Equation 1 corrected jjr115.PNG
23:11, 11 March 2018 Jjr115 talk contribs uploaded a new version of File:Equation 1 jjr115.PNG
23:11, 11 March 2018 Jjr115 talk contribs uploaded a new version of File:Equation 1 jjr115.PNG
22:33, 11 March 2018 Jjr115 talk contribs uploaded File:1D lattice CORRECTED jjr115.PNG
22:23, 11 March 2018 Jjr115 talk contribs uploaded File:Table of cells jjr115.PNG
22:17, 11 March 2018 Jjr115 talk contribs uploaded File:Equation 789 10 jjr115.PNG
22:15, 11 March 2018 Jjr115 talk contribs uploaded File:Equation 456 jjr115.PNG
22:14, 11 March 2018 Jjr115 talk contribs uploaded File:1D lattice jjr115.PNG
22:14, 11 March 2018 Jjr115 talk contribs uploaded File:Equation 2 3 jjr115.PNG
22:13, 11 March 2018 Jjr115 talk contribs uploaded File:Equation 1 jjr115.PNG
18:26, 8 March 2018 Jjr115 talk contribs uploaded File:MgO MD calc 300K.mp4
18:24, 8 March 2018 Jjr115 talk contribs uploaded File:MgO supracell cell jjr115.PNG
18:24, 8 March 2018 Jjr115 talk contribs uploaded File:MgO Primitive cell jjr115.PNG
17:30, 4 March 2018 Jjr115 talk contribs uploaded File:MgO conventional unit cell jjr115.PNG
14:32, 27 February 2018 Jjr115 talk contribs uploaded File:TRIAL 4 EXTENSION OPTIMISATION TO A MINIMUM FROZEN TRANSITION STATE JJR115.LOG
14:31, 27 February 2018 Jjr115 talk contribs uploaded a new version of File:EXTENSION UNFROZEN OPTIMISATION PM6 TO TRANSITION STATE JJR115.LOG
14:31, 27 February 2018 Jjr115 talk contribs uploaded File:EXTENSION PM6 OPTIMISATION OF reactant JJR115.LOG
14:31, 27 February 2018 Jjr115 talk contribs uploaded File:EXTENSION PM6 OPTIMISATION OF PRODUCT JJR115 CORRECT.LOG
14:30, 27 February 2018 Jjr115 talk contribs uploaded File:EXTENSION OPT TO A MINIMUM FROZEN TRANSITION STATE JJR115.LOG
14:29, 27 February 2018 Jjr115 talk contribs uploaded File:EXTENSION IRC CALC ON TRANSITION STATE PM6 JJR115.LOG
14:29, 27 February 2018 Jjr115 talk contribs uploaded File:EXTENSION B3LYP OPTIMISATION OF reactant JJR115.LOG
14:20, 27 February 2018 Jjr115 talk contribs uploaded File:Reaction scheme extension jjr115.PNG
14:01, 27 February 2018 Jjr115 talk contribs uploaded a new version of File:Thermo data ex 3 jjr115.png
10:37, 27 February 2018 Jjr115 talk contribs uploaded File:Screen Shot 2018-02-27 at 10.37.16 jjr115.png
10:03, 27 February 2018 Jjr115 talk contribs uploaded File:Screen Shot 2018-02-27 at 09.58.59 jjr115.png
22:17, 26 February 2018 Jjr115 talk contribs uploaded File:Thermo data ex 3 jjr115.png
19:19, 26 February 2018 Jjr115 talk contribs uploaded File:EXTENSION UNFROZEN OPTIMISATION PM6 TO TRANSITION STATE JJR115.LOG