Uploads by Al1913
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Date | Name | Thumbnail | Size | Description | Versions |
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20:05, 25 February 2016 | AL1913 FE SH.png (file) | ![]() |
10 KB | 1 | |
19:30, 25 February 2016 | AL1913 FE Temp.png (file) | ![]() |
11 KB | 1 | |
19:20, 25 February 2016 | AL1913 MD FE Temp.png (file) | ![]() |
9 KB | 1 | |
18:55, 25 February 2016 | AL1913 Volume temp graph.png (file) | ![]() |
13 KB | 1 | |
16:20, 25 February 2016 | AL1913 QH LCvTemp.png (file) | ![]() |
9 KB | 1 | |
16:19, 25 February 2016 | AL1913 QH FEvTemp.png (file) | ![]() |
9 KB | 1 | |
17:39, 23 February 2016 | AL1913 MgO DOS Graphs.png (file) | ![]() |
85 KB | 1 | |
17:18, 23 February 2016 | AL1913 MgO phonon DOS 1x1x1 zoomed.png (file) | ![]() |
26 KB | 1 | |
17:08, 23 February 2016 | AL1913 Phonon Dispersion Graph.png (file) | ![]() |
27 KB | 1 | |
11:50, 4 December 2015 | AL1913 Vacf trap rule.png (file) | ![]() |
45 KB | 1 | |
11:19, 4 December 2015 | AL1913 Vacf.png (file) | ![]() |
49 KB | 1 | |
11:18, 4 December 2015 | AL1913 MSD.png (file) | ![]() |
46 KB | 1 | |
11:15, 4 December 2015 | AL1913 Nearest neighbour.png (file) | ![]() |
2 KB | 2 | |
11:11, 4 December 2015 | AL1913 RDF Solid.png (file) | ![]() |
31 KB | 1 | |
11:09, 4 December 2015 | RDF AllStates.png (file) | ![]() |
22 KB | 1 | |
17:46, 3 December 2015 | AL1913 HO Error.png (file) | ![]() |
11 KB | 1 | |
17:23, 3 December 2015 | AL1913 HO.png (file) | ![]() |
66 KB | 1 | |
13:11, 3 December 2015 | AL1913 Nvt 02 20 smallerTS.txt (file) | ![]() |
2 KB | 1 | |
13:06, 3 December 2015 | AL1913 Heat Capacity Small Time Step.png (file) | ![]() |
10 KB | 1 | |
15:20, 30 November 2015 | AL1913 Pressure Temp Comp vs Ideal.png (file) | ![]() |
18 KB | 1 | |
14:39, 30 November 2015 | AL1913 TotEng.png (file) | ![]() |
40 KB | 2 | |
14:34, 30 November 2015 | AL1913 Press 0001.png (file) | ![]() |
34 KB | 1 | |
14:34, 30 November 2015 | AL1913 Temp 0001.png (file) | ![]() |
20 KB | 1 | |
13:41, 30 November 2015 | AL1913 Face centred cubic lattice.png (file) | ![]() |
3 KB | 1 | |
13:32, 25 November 2015 | AL1913 Moving particle.png (file) | ![]() |
3 KB | 1 | |
12:57, 25 November 2015 | AL1913 HO.xls (file) | ![]() |
122 KB | 1 | |
16:08, 22 October 2015 | DA reaction schemes AL.png (file) | ![]() |
29 KB | 1 | |
13:14, 22 October 2015 | EndoTS LUMO AL.png (file) | ![]() |
30 KB | 3 | |
13:13, 22 October 2015 | EndoTS HOMO AL.png (file) | ![]() |
28 KB | 2 | |
12:21, 22 October 2015 | TS Numbering AL.png (file) | ![]() |
33 KB | 1 | |
10:57, 22 October 2015 | Chair 631Gd Summary AL.png (file) | ![]() |
14 KB | 1 | |
10:56, 22 October 2015 | CHAIR GUESSTS FROZEN 631GD AL.LOG (file) | ![]() |
216 KB | 1 | |
10:33, 22 October 2015 | Frozen Summary AL.png (file) | ![]() |
14 KB | 1 | |
10:30, 22 October 2015 | AL Chair GuessTS frozen.mol (file) | ![]() |
2 KB | 1 | |
10:29, 22 October 2015 | CHAIR GUESSTS FROZEN AL.LOG (file) | ![]() |
258 KB | 1 | |
10:19, 22 October 2015 | Boat QTS2 Works 631Gd Summary AL.png (file) | ![]() |
15 KB | 1 | |
10:17, 22 October 2015 | BOAT QTS2 WORK 2 631GD AL.LOG (file) | ![]() |
590 KB | 1 | |
09:32, 22 October 2015 | Maleic summary AL.png (file) | ![]() |
14 KB | 2 | |
09:30, 22 October 2015 | MALEICANHYDRIDE AM1 SE AL.LOG (file) | ![]() |
139 KB | 2 | |
09:07, 22 October 2015 | Numbering Exo TS AL.png (file) | ![]() |
45 KB | 1 | |
08:54, 22 October 2015 | Numbering Endo TS AL.png (file) | ![]() |
41 KB | 1 | |
15:26, 21 October 2015 | ComparisonBondLengths AL.png (file) | ![]() |
37 KB | 1 | |
12:58, 21 October 2015 | AL ENDODA QTS2 AM1 SE.mol (file) | ![]() |
2 KB | 1 | |
12:57, 21 October 2015 | AL ENDODATS AM1 SE.mol (file) | ![]() |
2 KB | 1 | |
12:50, 21 October 2015 | EndoTS summary AL.png (file) | ![]() |
14 KB | 1 | |
12:44, 21 October 2015 | AL ENDODAPRODUCT AM1 SE.mol (file) | ![]() |
2 KB | 1 | |
12:44, 21 October 2015 | ENDODA QTS2 AM1 SE AL.LOG (file) | ![]() |
2.12 MB | 1 | |
12:34, 21 October 2015 | ExoTS LUMO AL.png (file) | ![]() |
39 KB | 1 | |
12:34, 21 October 2015 | ExoTS HOMO AL.png (file) | ![]() |
38 KB | 1 | |
12:31, 21 October 2015 | AL EXODA QTS2 AM1 SE.mol (file) | ![]() |
2 KB | 1 |