Uploads by Ya2012
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) | .png) |
31 KB | 1 | |
| 02:54, 15 December 2014 | NB summary NH3(ya)(4).png (file) | (4).png){kind=small} |
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) | .JPG) |
14 KB | 1 | |
| 18:39, 14 December 2014 | Mo 1 ya BH3 2e'(1).JPG (file) | .JPG) |
14 KB | 2 | |
| 18:36, 14 December 2014 | Mo 1 ya BH3 1e'(1).JPG (file) | .JPG) |
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) | .JPG) |
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) | .JPG) |
11 KB | 1 | |
| 17:43, 14 December 2014 | Mo 2 LCAO BH3 ya 1e'(1).JPG (file) | .JPG) |
11 KB | 2 | |
| 17:41, 14 December 2014 | Mo 2 ya LCAO BH3 2e'(1).JPG (file) | .JPG) |
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) | .JPG) |
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 |
