Uploads by Zh2613
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Date | Name | Thumbnail | Size | Description | Versions |
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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 |