Uploads by Oc410
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Date | Name | Thumbnail | Size | Description | Versions |
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15:27, 14 January 2013 | Energy.Gradient vs Optimization (file) | ![]() |
298 bytes | 2 | |
15:33, 14 January 2013 | Energy.Gradient Optimization oc (file) | ![]() |
182 KB | 2 | |
15:39, 14 January 2013 | Energy Optimization oc.jpg (file) | ![]() |
191 KB | 2 | |
15:45, 14 January 2013 | RMS Gradient vs Optimization oc.jpg (file) | ![]() |
182 KB | 1 | |
15:54, 14 January 2013 | Structure1BH3.jpg (file) | ![]() |
31 KB | 1 | |
16:01, 14 January 2013 | Structure2BH3.jpg (file) | ![]() |
31 KB | 1 | |
16:04, 14 January 2013 | Structure3BH3.jpg (file) | ![]() |
34 KB | 1 | |
16:06, 14 January 2013 | Structure4BH3.jpg (file) | ![]() |
34 KB | 1 | |
16:29, 14 January 2013 | BH3 OPT631G.LOG (file) | ![]() |
48 KB | 1 | |
16:56, 14 January 2013 | BH3originalOC.jpg (file) | ![]() |
44 KB | 1 | |
11:34, 15 January 2013 | BH3631G.jpg (file) | ![]() |
46 KB | 1 | |
12:39, 15 January 2013 | TlBr3preopt.jpg (file) | ![]() |
42 KB | 1 | |
13:13, 15 January 2013 | Log 69179.log (file) | ![]() |
43 KB | 1 | |
13:14, 15 January 2013 | TlBr3 LanL2DZ.log (file) | ![]() |
43 KB | 1 | |
13:15, 15 January 2013 | TlBr3LanL2DZ OPT.log (file) | ![]() |
43 KB | 1 | |
14:07, 15 January 2013 | BBr3 pre opt.jpg (file) | ![]() |
44 KB | 1 | |
14:11, 15 January 2013 | BBr3GEN OPToc.log (file) | ![]() |
49 KB | 1 | |
14:14, 15 January 2013 | BBr3OPToc.jpg (file) | ![]() |
45 KB | 1 | |
11:32, 17 January 2013 | OLIVERCONNOR BH3 FREQ.LOG (file) | ![]() |
54 KB | 2 | |
11:44, 17 January 2013 | OLIVERCONNOR BH3 FREQDH3.LOG (file) | ![]() |
43 KB | 1 | |
13:49, 17 January 2013 | Mod1BH3.gif (file) | ![]() |
714 KB | 1 | |
13:49, 17 January 2013 | Mod2BH3.gif (file) | ![]() |
746 KB | 1 | |
13:49, 17 January 2013 | Mod3BH3.gif (file) | ![]() |
732 KB | 1 | |
13:49, 17 January 2013 | Mod4BH3.gif (file) | ![]() |
742 KB | 1 | |
13:49, 17 January 2013 | Mod5BH3.gif (file) | ![]() |
701 KB | 1 | |
13:49, 17 January 2013 | Mod6BH3.gif (file) | ![]() |
698 KB | 1 | |
14:35, 17 January 2013 | BH3 Spectrum.jpg (file) | ![]() |
107 KB | 1 | |
15:13, 17 January 2013 | TlBr3vibanalysis.log (file) | ![]() |
68 KB | 1 | |
16:09, 17 January 2013 | TlBr3vibspectrum.jpg (file) | ![]() |
87 KB | 1 | |
17:51, 17 January 2013 | NH3opt.jpg (file) | ![]() |
32 KB | 1 | |
11:40, 18 January 2013 | NH3vibrational.log (file) | ![]() |
42 KB | 1 | |
13:23, 18 January 2013 | NH3MO1.jpg (file) | ![]() |
50 KB | 1 | |
13:23, 18 January 2013 | NH3MO2.jpg (file) | ![]() |
51 KB | 1 | |
13:24, 18 January 2013 | NH3MO3.jpg (file) | ![]() |
57 KB | 1 | |
13:24, 18 January 2013 | NH3MO4.jpg (file) | ![]() |
51 KB | 1 | |
13:24, 18 January 2013 | NH3MO5.jpg (file) | ![]() |
50 KB | 1 | |
13:24, 18 January 2013 | NH3MO6.jpg (file) | ![]() |
56 KB | 1 | |
13:24, 18 January 2013 | NH3MO7.jpg (file) | ![]() |
56 KB | 1 | |
13:24, 18 January 2013 | NH3MO8.jpg (file) | ![]() |
100 KB | 1 | |
13:52, 18 January 2013 | NH3MOanalysis mo1.cub.jvxl (file) | ![]() |
2 KB | 2 | |
13:53, 18 January 2013 | NH3MOanalysis mo1.cub.xyz (file) | ![]() |
147 bytes | 1 | |
13:55, 18 January 2013 | NH3MOanalysis mo2.cub.jvxl (file) | ![]() |
4 KB | 1 | |
13:56, 18 January 2013 | NH3MOanalysis mo2.cub.xyz (file) | ![]() |
147 bytes | 1 | |
14:46, 18 January 2013 | NH3NBO.jpg (file) | ![]() |
50 KB | 1 | |
14:55, 18 January 2013 | NH3chargesNBO.jpg (file) | ![]() |
65 KB | 1 | |
15:55, 18 January 2013 | NH3BH3OPT6-31G.LOG (file) | ![]() |
29 KB | 1 | |
15:58, 18 January 2013 | NH3BH3631gopt.jpg (file) | ![]() |
49 KB | 1 | |
16:24, 18 January 2013 | NH3BH36-31GFREQ2.LOG (file) | ![]() |
68 KB | 1 | |
17:20, 18 January 2013 | BH3OPT1.jpg (file) | ![]() |
42 KB | 1 | |
13:38, 21 January 2013 | BenzeneOPT631G2.log (file) | ![]() |
40 KB | 1 |