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Uploads by Ac4515

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
18:03, 10 February 2018 Ac4515-endo-MO diagram.png (file) 219 KB   1
17:55, 10 February 2018 Ac4515-exo-MO diagram.png (file) 213 KB   1
14:43, 10 February 2018 Ac4515Alt-endo-irc.gif (file) 704 KB   1
14:37, 10 February 2018 Ac4515Alt-exo-irc.gif (file) 670 KB   1
14:20, 10 February 2018 Ac4515IRC-chelo.gif (file) 1.9 MB   1
14:15, 10 February 2018 Ac4515IRC endo.gif (file) 1.05 MB   1
14:11, 10 February 2018 IRC-exo-movie-better.gif (file) 1.38 MB   1
14:04, 10 February 2018 Ac4515IRC-exo-movie.gif (file) 660 KB   1
16:15, 9 February 2018 AC4515-ex-1-MO diagram.png (file) 173 KB   1
16:22, 8 February 2018 Ac4515-endo-B3-TS-BERNY-POPGFULLPRINT.LOG (file) 2.34 MB   1
15:13, 8 February 2018 Ac4515-exo-ex2-B3-TS-BERNY-3-POPGFULLPRINT.LOG (file) 2.34 MB   1
14:41, 8 February 2018 Ac4515-ex2-EXO-B3-TS-BERNY-2.LOG (file) 465 KB   1
13:52, 8 February 2018 AC4515TS-PM6-2ND.LOG (file) 342 KB   1
13:23, 8 February 2018 AC4515PM6-BUTADIENE.LOG (file) 287 KB   1
11:50, 8 February 2018 AC4515PM6-ETHENE-OPT.LOG (file) 122 KB   1
06:50, 6 December 2017 K vector.png (file) 8 KB   1
06:00, 6 December 2017 Thermal coefficient eq.png (file) 11 KB   1
05:03, 6 December 2017 MD vs QHA- vol vs temp.png (file) 43 KB   1
04:59, 6 December 2017 MD- vol vs temp .png (file) 31 KB   1
04:11, 6 December 2017 Comp vs lit correct.png (file) 40 KB   1
04:10, 6 December 2017 Comp vs exp QH correct.png (file) 43 KB   2
21:05, 5 December 2017 Comp vs lit QH.png (file) 41 KB   1
19:47, 5 December 2017 QH temp vs vol correct.png (file) 33 KB   1
18:41, 5 December 2017 QH vol vs temp .png (file) 32 KB   1
18:33, 5 December 2017 Free energy vs temp QH.png (file) 34 KB   1
17:34, 5 December 2017 Quasiharmoniceq.png (file) 20 KB   1
16:17, 5 December 2017 Variation of freeE with grid size 300K.png (file) 24 KB   1
15:50, 5 December 2017 28x28x28 DOS.PNG (file) 13 KB   1
22:31, 4 December 2017 40x40x40 density of states.PNG (file) 11 KB   1
22:20, 4 December 2017 20x20x20 DOS.PNG (file) 12 KB   1
22:20, 4 December 2017 5x5x5 density of states.PNG (file) 18 KB   1
22:17, 4 December 2017 3x3x3 denisity of states.PNG (file) 17 KB   1
22:14, 4 December 2017 1x1x1 density of states.PNG (file) 17 KB   2
15:21, 4 December 2017 1x1x1 DOS correct.PNG (file) 13 KB   1
15:12, 4 December 2017 50 kpoint dispersion curve.PNG (file) 14 KB   1
16:56, 18 May 2017 F+H2. PotEvstime-correct-1.png (file) 12 KB   1
16:40, 18 May 2017 H2+F. PotEvstime-correct-1.png (file) 13 KB   1
15:53, 18 May 2017 Internucleardistances time -H2 +F.PNG (file) 18 KB   1
15:29, 18 May 2017 Exo surface plot H2+F.PNG (file) 100 KB   1
15:21, 18 May 2017 H2+F. PotEvstime-correct.png (file) 40 KB   2
14:55, 18 May 2017 H2 +F- rts.png (file) 82 KB   1
12:27, 18 May 2017 P1=-1.25, p2=-2.5.png (file) 99 KB   1
12:26, 18 May 2017 P1=-2.5, p2=-5.0.png (file) 100 KB   1
12:25, 18 May 2017 P1=-2.5, p2=-5.2.png (file) 100 KB   1
12:24, 18 May 2017 P1=-1.5, p2=-2.5.png (file) 96 KB   1
12:18, 18 May 2017 P1=-1.5, p2=-2.0.png (file) 95 KB   1
14:41, 16 May 2017 Dynamics- H2.png (file) 98 KB   1
14:37, 16 May 2017 Mep- H2 +H.png (file) 95 KB   1
13:51, 16 May 2017 H2+H distances vs time.png (file) 43 KB   1
16:05, 4 March 2016 AC HBr vibrations.png (file) 14 KB   1
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