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Uploads by Ia2514

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Date Name Thumbnail Size Description Versions
15:05, 25 January 2017 Ia2514 ex2 rxn.png (file) 48 KB   1
14:55, 25 January 2017 Ia2514 ex1 rxncoord.png (file) 33 KB   1
12:32, 25 January 2017 Ia2514 ex1 reactants energy.chk (file) 1.1 MB   1
12:26, 25 January 2017 Ia2514 ex1 MO diagram2.png (file) 148 KB   1
12:09, 25 January 2017 Ia2514 ex1 MO diagram.png (file) 147 KB   1
11:39, 25 January 2017 Ia2514 ex1 rxn.png (file) 13 KB   1
15:36, 23 January 2017 Ia2514 EXO TS B3LYP 631GD.LOG (file) 3.58 MB   1
14:04, 23 January 2017 Ia2514 ENDO TS B3LYP 631GD NOEIGEN.LOG (file) 3.69 MB   1
15:29, 19 January 2017 Ia2514 ETHYLENE PM6 JMOL.LOG (file) 122 KB   1
15:17, 19 January 2017 Ia2514 BUTADIENE PM6 JMOL.LOG (file) 208 KB   1
14:58, 19 January 2017 Ia2514 ETHYLENE O&F PM6 JMOL.LOG (file) 122 KB   1
14:26, 19 January 2017 Ia2514 EX1 TS PM6 JMOL.LOG (file) 413 KB   1
00:57, 16 December 2016 Ia2514 qh md thermexp deriv delta.png (file) 51 KB   2
00:46, 16 December 2016 Ia2514 qh md cellvol.png (file) 46 KB   1
23:43, 15 December 2016 Ia2514 qh thermexp deriv delta.png (file) 41 KB   1
23:23, 15 December 2016 Ia2514qh cellvol.png (file) 35 KB   1
20:56, 15 December 2016 Ia2514 qh latticeconst.png (file) 32 KB   1
20:13, 15 December 2016 Ia2514qh freeeng.png (file) 34 KB   1
18:49, 15 December 2016 Ia2514frenggr.png (file) 27 KB   1
17:48, 15 December 2016 Ia2514 32x32x32-1.png (file) 44 KB   1
17:37, 15 December 2016 Ia2514 gif.gif (file) 178 KB   1
16:48, 15 December 2016 Ia2514 1x1x1-1.png (file) 53 KB   1
16:24, 15 December 2016 MgO phonondispersion-1.png (file) 60 KB   1
08:01, 18 November 2016 Ia25148x8Magn2Comp.png (file) 43 KB   1
08:00, 18 November 2016 Ia25148x8MagnComp.png (file) 45 KB   1
07:59, 18 November 2016 Ia25148x8En2Comp.png (file) 42 KB   1
07:54, 18 November 2016 Ia25148x8EnComp.png (file) 36 KB   1
07:51, 18 November 2016 Ia2514heatcap.png (file) 50 KB   1
07:44, 18 November 2016 Ia2514enmagn.png (file) 89 KB   1
07:22, 18 November 2016 Ia25144x4 300000.png (file) 33 KB   1
07:22, 18 November 2016 Ia25142x2 300000.png (file) 33 KB   1
23:45, 17 November 2016 Ia2514Tcinf.png (file) 39 KB   1
23:28, 17 November 2016 Ia25148x8c++vspython.png (file) 49 KB   1
23:05, 17 November 2016 Ia251416x16 300000.png (file) 34 KB   1
23:04, 17 November 2016 Ia251432x32 300000.png (file) 32 KB   1
22:13, 17 November 2016 Ia25148x8 300000.png (file) 33 KB   1
21:46, 17 November 2016 Ia251432x32 1.png (file) 37 KB   1
21:45, 17 November 2016 Ia251416x16 1.png (file) 35 KB   1
17:03, 17 November 2016 Hcfit 8x8 5.png (file) 49 KB   1
16:52, 17 November 2016 Hcfit beforesel 8x8 20.png (file) 50 KB   1
16:24, 17 November 2016 Ia251432x32 3.png (file) 43 KB   1
16:24, 17 November 2016 Ia251432x32 2.0.png (file) 41 KB   1
16:24, 17 November 2016 Ia251432x32 0.5.png (file) 35 KB   1
16:24, 17 November 2016 Ia251416x16 2.png (file) 45 KB   1
16:24, 17 November 2016 Ia25148x8 1.png (file) 33 KB   1
16:23, 17 November 2016 Ia25144x4 1.png (file) 28 KB   1
16:30, 15 November 2016 Ia2514figure1output.png (file) 2 KB   1
16:30, 15 November 2016 Ia2514figure1.png (file) 25 KB   1
15:48, 15 November 2016 Ia2514ilcheck.png (file) 13 KB   1
15:35, 15 November 2016 Ia2514 Ilcheck.png (file) 11 KB   1
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