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Uploads by Ohc15

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Date Name Thumbnail Size Description Versions
16:05, 26 January 2018 BUTADIENE PM6 BREAKSYM JMOL.LOG (file) 226 KB   1
15:50, 26 January 2018 Butadiene breaksym vib.PNG (file) 24 KB   1
14:46, 26 January 2018 DA Ex1.jpg (file) 11 KB   2
17:49, 23 January 2018 Butadiene neg freq.PNG (file) 29 KB   1
17:34, 23 January 2018 Product TST Reactant IRC.PNG (file) 63 KB   2
17:20, 23 January 2018 TST vib freq.PNG (file) 36 KB   1
12:11, 23 January 2018 TST PM6 OPT Jmol.chk (file) 1.55 MB   1
12:09, 23 January 2018 TST PM6 OPT JMOL.LOG (file) 366 KB   1
12:08, 23 January 2018 BUTADIENE OPT PM6 JMOL 3.LOG (file) 195 KB   1
08:11, 6 December 2017 0.20 error.PNG (file) 91 KB   1
08:11, 6 December 2017 0.20 energy.PNG (file) 115 KB   1
08:10, 6 December 2017 0.20 analytical.PNG (file) 73 KB   1
07:17, 6 December 2017 Sc-fcc-liq-compare.png (file) 62 KB   2
03:00, 6 December 2017 All vacf.png (file) 58 KB   2
02:55, 6 December 2017 1mil vacf.png (file) 44 KB   1
23:16, 5 December 2017 Theo all msd.png (file) 47 KB   1
23:13, 5 December 2017 Msd sol sc fitted.png (file) 38 KB   2
23:12, 5 December 2017 MSD FCC.png (file) 35 KB   2
12:06, 5 December 2017 DensityVSTemperature.png (file) 55 KB   2
02:54, 5 December 2017 Msd lq fitted.png (file) 31 KB   1
02:53, 5 December 2017 Mean r sq gas.png (file) 32 KB   1
02:51, 5 December 2017 Fitted fcc msd.png (file) 35 KB   1
02:49, 5 December 2017 Fitted sc msd.png (file) 36 KB   1
00:45, 5 December 2017 Energy Plot All.PNG (file) 316 KB   2
00:33, 5 December 2017 Temp 0.001 4.PNG (file) 148 KB   1
00:33, 5 December 2017 Temp 0.001 full.PNG (file) 188 KB   1
00:32, 5 December 2017 Press 0.001 4.PNG (file) 121 KB   1
00:31, 5 December 2017 Pressure 0.001 full.PNG (file) 232 KB   1
00:30, 5 December 2017 0.001 Energy full.PNG (file) 112 KB   1
00:28, 5 December 2017 0.001 Energy 2.PNG (file) 69 KB   1
22:39, 4 December 2017 Cv V T.png (file) 34 KB   1
22:34, 4 December 2017 Intg(r) plot.png (file) 34 KB   1
22:28, 4 December 2017 G(r) plot.png (file) 57 KB   1
14:30, 4 December 2017 Max error plot.png (file) 48 KB   2
22:38, 2 December 2017 0.15 error.PNG (file) 47 KB   1
22:38, 2 December 2017 0.15 energy.PNG (file) 77 KB   1
22:38, 2 December 2017 0.15 analytical.PNG (file) 49 KB   1
22:38, 2 December 2017 0.12 error.PNG (file) 64 KB   1
22:37, 2 December 2017 0.12 energy.PNG (file) 71 KB   1
22:37, 2 December 2017 0.12 analytical.PNG (file) 46 KB   1
22:36, 2 December 2017 0.10 error.PNG (file) 43 KB   1
22:36, 2 December 2017 0.10 energy.PNG (file) 60 KB   1
22:36, 2 December 2017 0.10 analytical.PNG (file) 43 KB   1
22:34, 2 December 2017 0.05 analytical.PNG (file) 32 KB   1
22:31, 2 December 2017 0.05 energy.PNG (file) 41 KB   1
22:29, 2 December 2017 0.05 error.PNG (file) 39 KB   1
11:36, 22 November 2017 32x32 fit4 1.8 2.8 600000.png (file) 125 KB   1
11:33, 22 November 2017 16x16 fit3 2.0 2.8.png (file) 120 KB   1
11:32, 22 November 2017 8x8 fit6 15 28.png (file) 126 KB   2
11:29, 22 November 2017 4x4 fit4 20 28.png (file) 112 KB   1
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