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Date Name Thumbnail Size Description Versions
14:43, 12 November 2015 Analytical and V-V position vs t.png (file) 19 KB   1
14:43, 12 November 2015 Error in position vs t.png (file) 18 KB   1
14:44, 12 November 2015 Total energy vs t.png (file) 20 KB   1
18:04, 16 November 2015 Finding r0.PNG (file) 4 KB   1
18:12, 16 November 2015 Finding force at r0.png (file) 12 KB   1
18:14, 16 November 2015 Finding equilibrium seperation.png (file) 10 KB   1
18:16, 16 November 2015 Finding the well depth.png (file) 8 KB   1
18:18, 16 November 2015 Evaluating integrals.png (file) 23 KB   1
14:11, 18 November 2015 Error maxima vs time.png (file) 11 KB   1
15:53, 18 November 2015 0.001 temp vs t.png (file) 11 KB   1
15:53, 18 November 2015 0.001 pressure vs t.png (file) 25 KB   1
15:55, 18 November 2015 0.001 equilibration TotEg vs t.png (file) 10 KB   1
15:55, 18 November 2015 0.001 equilibration temp vs t.png (file) 8 KB   1
15:57, 18 November 2015 0.001 equilibration pressure vs t.jpg (file) 10 KB   2
16:08, 18 November 2015 Energy vs time for all timesteps.PNG (file) 45 KB   1
16:40, 18 November 2015 Solving for gamma.png.png (file) 8 KB   1
22:48, 18 November 2015 Density vs t p=2.2.PNG (file) 12 KB   1
22:49, 18 November 2015 Density vs t p=2.6.PNG (file) 11 KB   1
22:49, 18 November 2015 Density vs t p=2.2and2.6.PNG (file) 10 KB   1
09:09, 19 November 2015 Script Cv 1.PNG (file) 41 KB   1
09:11, 19 November 2015 Script Cv 2.PNG (file) 18 KB   1
14:32, 19 November 2015 Cv vs T p=0.2and0.8.PNG (file) 13 KB   1
14:57, 19 November 2015 Vap msd vs t.PNG (file) 11 KB   1
14:58, 19 November 2015 Liq msd vs t.PNG (file) 10 KB   1
14:58, 19 November 2015 Sol msd vs t.PNG (file) 12 KB   1
15:04, 19 November 2015 1mill vap msd vs t.PNG (file) 11 KB   1
15:04, 19 November 2015 1mill liq msd vs t.PNG (file) 9 KB   1
15:05, 19 November 2015 1mill sol msd vs t.PNG (file) 10 KB   1
15:50, 19 November 2015 RDF integral.PNG (file) 14 KB   1
18:43, 19 November 2015 Derivation.PNG (file) 47 KB   1
20:29, 19 November 2015 VACFs.PNG (file) 26 KB   1
21:55, 19 November 2015 FCC.PNG (file) 9 KB   1
23:07, 19 November 2015 Vap integrals.PNG (file) 13 KB   1
23:07, 19 November 2015 Liq integrals.PNG (file) 10 KB   1
23:08, 19 November 2015 Sol integrals.PNG (file) 11 KB   1
10:43, 20 November 2015 Part2 equations.PNG (file) 39 KB   2
11:01, 20 November 2015 0.001 eq TotEg vs t.png (file) 10 KB   1
11:02, 20 November 2015 0.001 eq temp vs t.png (file) 8 KB   1
11:03, 20 November 2015 0.001 equilibration p against t.png (file) 6 KB   4
11:04, 20 November 2015 0.001 TotEng vs t.png (file) 14 KB   2
15:02, 21 January 2016 COPE 1 5 HEXADIENE ANTI.LOG (file) 175 KB   1
15:17, 21 January 2016 COPE 1 5 HEXADIENE GAUCHE.LOG (file) 152 KB   1
13:20, 22 January 2016 COPE 1 5 HEXADIENE LOWEST3.LOG (file) 151 KB   1
13:55, 22 January 2016 Anti labelled.PNG (file) 49 KB   1
11:51, 25 January 2016 COPE 1 5 HEXADIENE ANTI B3LYP 6-31GD.LOG (file) 182 KB   1
13:01, 25 January 2016 COPE C3H5 TS HF 3-21G.LOG (file) 73 KB   1
13:01, 25 January 2016 Allyl fragment front.PNG (file) 17 KB   1
13:41, 25 January 2016 Chair from builder ngtv frequency.gif (file) 637 KB   1
14:18, 25 January 2016 COPE CHAIR TS FROMBUILDER OPT&FREQ.LOG (file) 303 KB   1
14:27, 25 January 2016 COPE CHAIR TS FROMBUILDER OPTFREQ.LOG (file) 303 KB   1
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