Uploads by Ya2012
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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | Description | Versions |
---|---|---|---|---|---|
10:24, 15 December 2014 | NME4 OPT ya mol.mol2 (file) | ![]() |
1 KB | 1 | |
10:23, 15 December 2014 | Summary table NME4 ya.PNG (file) | 14 KB | 1 | ||
03:12, 15 December 2014 | NBO analysis numbers chargeDIST NH3 ya.JPG (file) | 17 KB | 1 | ||
03:11, 15 December 2014 | NBO ANALYSIS NH3 chargeDISTRIB ya.JPG (file) | 22 KB | 1 | ||
02:58, 15 December 2014 | BO COEFF HYBRIDS NH3 YA.png (file) | ![]() |
67 KB | 1 | |
02:56, 15 December 2014 | Second order perturb NH3 ya(3).png (file) | ![]() |
31 KB | 1 | |
02:54, 15 December 2014 | NB summary NH3(ya)(4).png (file) | ![]() |
27 KB | 1 | |
02:53, 15 December 2014 | Summary OF NB POP NH3 YA.png (file) | ![]() |
26 KB | 1 | |
01:41, 15 December 2014 | Population Analysis diagram NH3 ya.JPG (file) | 28 KB | 1 | ||
01:30, 15 December 2014 | Population analysis NH3 ya charge distribution.JPG (file) | 30 KB | 1 | ||
20:40, 14 December 2014 | Mo diagram BH3 ya.JPG (file) | 44 KB | 1 | ||
20:10, 14 December 2014 | NH3 POP YA.LOG (file) | ![]() |
60 KB | 1 | |
18:39, 14 December 2014 | Mo 1 ya BH3 2e'(2).JPG (file) | 14 KB | 1 | ||
18:39, 14 December 2014 | Mo 1 ya BH3 2e'(1).JPG (file) | 14 KB | 2 | ||
18:36, 14 December 2014 | Mo 1 ya BH3 1e'(1).JPG (file) | 12 KB | 7 | ||
18:34, 14 December 2014 | Mo 1 ya BH3 3a1'.JPG (file) | 15 KB | 2 | ||
18:32, 14 December 2014 | Mo 1 ya BH3 1a2''.JPG (file) | 12 KB | 5 | ||
18:31, 14 December 2014 | Mo 1 ya BH3 1e'(2).JPG (file) | 12 KB | 2 | ||
18:29, 14 December 2014 | MO 2 LCAO 2a1'.JPG (file) | 10 KB | 3 | ||
18:22, 14 December 2014 | Mo 1 ya BH3 2a1'.JPG (file) | 12 KB | 2 | ||
18:19, 14 December 2014 | MO 2 LCAO 1a1'.JPG (file) | 11 KB | 1 | ||
17:45, 14 December 2014 | Mo 2 ya LCAO BH3 2e'(2).JPG (file) | 11 KB | 1 | ||
17:43, 14 December 2014 | Mo 2 LCAO BH3 ya 1e'(1).JPG (file) | 11 KB | 2 | ||
17:41, 14 December 2014 | Mo 2 ya LCAO BH3 2e'(1).JPG (file) | 11 KB | 1 | ||
17:40, 14 December 2014 | Mo 2 LCAO BH3 ya 3a2''.JPG (file) | 10 KB | 1 | ||
17:33, 14 December 2014 | Mo 2 LCAO ya BH3 1a2''.JPG (file) | 10 KB | 1 | ||
17:29, 14 December 2014 | Mo 2 LCAO BH3 ya 1e'(2).JPG (file) | 11 KB | 1 | ||
16:26, 14 December 2014 | Mo 2 ya BH3 1a1''.JPG (file) | 9 KB | 1 | ||
14:47, 14 December 2014 | Ammonia borane IR ya.JPG (file) | 52 KB | 1 | ||
14:41, 14 December 2014 | BH3 IR Spectrum ya.JPG (file) | 51 KB | 1 | ||
17:47, 13 December 2014 | Orb1 NH3 ya.JPG (file) | 17 KB | 3 | ||
16:13, 13 December 2014 | IR Spectra NH3.JPG (file) | 44 KB | 1 | ||
15:55, 13 December 2014 | NH3 freq summary ya.JPG (file) | 40 KB | 1 | ||
15:50, 13 December 2014 | NH3 FREQ ONO YA.LOG (file) | ![]() |
28 KB | 2 | |
14:50, 13 December 2014 | NH3 OPT 631G molfile ya.mol2 (file) | ![]() |
342 bytes | 1 | |
14:47, 13 December 2014 | NH3 opt summary ya.JPG (file) | 40 KB | 1 | ||
14:45, 13 December 2014 | NH3 OPT 631G YA.LOG (file) | ![]() |
48 KB | 1 | |
17:25, 10 December 2014 | Summary BH3 frequency ya.JPG (file) | 38 KB | 1 | ||
17:24, 10 December 2014 | YA BH3 FREQ.LOG (file) | ![]() |
26 KB | 1 | |
18:07, 9 December 2014 | BBr3 Opt usingPseudoPotentials ya output.log (file) | ![]() |
49 KB | 1 | |
18:06, 9 December 2014 | BBr3 Opt usingPseudoPotentials ya output.mol (file) | ![]() |
437 bytes | 1 | |
18:05, 9 December 2014 | BBr3 OPT1 ya summary.JPG (file) | 51 KB | 1 | ||
16:36, 9 December 2014 | GaBr3 Opt usingPseudoPotentials ya output.mol2 (file) | ![]() |
372 bytes | 1 | |
16:34, 9 December 2014 | GaBr3 OPT1 ya summary.JPG (file) | 47 KB | 1 | ||
16:30, 9 December 2014 | BH3 OPT1 trial2 summary ya.JPG (file) | 40 KB | 2 | ||
16:28, 9 December 2014 | BH3 OPT 321G TRIAL2 ya.LOG (file) | ![]() |
69 KB | 3 | |
14:40, 9 December 2014 | BH3 OPT 321G TRIAL2 ya.mol2 (file) | ![]() |
346 bytes | 1 | |
14:37, 9 December 2014 | BH3 OPT1 trial2 summary.JPG (file) | 40 KB | 1 | ||
13:24, 9 December 2014 | BH3 OPT1.mol (file) | ![]() |
444 bytes | 8 | |
23:33, 8 December 2014 | BH3 OPT1.LOG (file) | ![]() |
70 KB | 2 |