Uploads by Yy3412
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 11:47, 13 March 2015 | YY3412 vacf.png (file) |  |
73 KB | 1 | |
| 06:02, 13 March 2015 | YY3412 Equlibrium.png (file) |  |
576 KB | 1 | |
| 05:53, 13 March 2015 | YY3412 0001.png (file) |  |
101 KB | 1 | |
| 03:49, 13 March 2015 | YY3412 msd.png (file) |  |
63 KB | 3 | |
| 03:32, 13 March 2015 | YY3412 msd large.png (file) |  |
55 KB | 1 | |
| 03:07, 13 March 2015 | YY3412 inte RDF.png (file) |  |
60 KB | 2 | |
| 02:58, 13 March 2015 | YY3412 RDF.png (file) |  |
80 KB | 1 | |
| 02:34, 13 March 2015 | YY3412 NVT 0.2 2.0.in (file) |  |
2 KB | 1 | |
| 02:29, 13 March 2015 | YY3412 Cv T rho.png (file) |  |
57 KB | 1 | |
| 16:18, 12 March 2015 | YY3412 rho T p ideal gas law.png (file) |  |
104 KB | 1 | |
| 15:56, 12 March 2015 | YY3412 rho T p error bar.png (file) |  |
75 KB | 2 | |
| 11:11, 13 February 2015 | YY BH3 MO.jpg (file) |  |
57 KB | 2 | |
| 10:49, 13 February 2015 | YY N(CH3)4+ MO22.JPG (file) | 4%2B_MO22.JPG) |
43 KB | 1 | |
| 10:49, 13 February 2015 | YY N(CH3)4+ MO21.JPG (file) | 4%2B_MO21.JPG) |
41 KB | 1 | |
| 10:49, 13 February 2015 | YY N(CH3)3(CH2OH)+ MO26.JPG (file) | 3(CH2OH)%2B_MO26.JPG) |
33 KB | 1 | |
| 10:49, 13 February 2015 | YY N(CH3)3(CH2OH)+ MO25.JPG (file) | 3(CH2OH)%2B_MO25.JPG) |
41 KB | 1 | |
| 10:48, 13 February 2015 | N(CH3)3(CH2CN) MO28.JPG (file) | 3(CH2CN)_MO28.JPG) |
41 KB | 1 | |
| 10:48, 13 February 2015 | N(CH3)3(CH2CN) MO27.JPG (file) | 3(CH2CN)_MO27.JPG) |
39 KB | 1 | |
| 10:35, 13 February 2015 | N(CH3)3(CH2CN) charge distribution number.JPG (file) | 3(CH2CN)_charge_distribution_number.JPG) |
72 KB | 1 | |
| 10:35, 13 February 2015 | N(CH3)3(CH2CN) charge distribution colour.JPG (file) | 3(CH2CN)_charge_distribution_colour.JPG) |
16 KB | 1 | |
| 10:30, 13 February 2015 | YY N(CH3)3(CH2OH)+ charge distribution number.JPG (file) | 3(CH2OH)%2B_charge_distribution_number.JPG) |
21 KB | 1 | |
| 10:29, 13 February 2015 | YY N(CH3)3(CH2OH)+ charge distribution colour.JPG (file) | 3(CH2OH)%2B_charge_distribution_colour.JPG) |
17 KB | 1 | |
| 10:27, 13 February 2015 | YY N(CH3)3(CH2CN)+ NBO.log (file) | |
856 KB | 1 | |
| 10:24, 13 February 2015 | YY N(CH3)3(CH2OH)+ NBO.log (file) | |
759 KB | 1 | |
| 09:04, 13 February 2015 | N(CH3)3(CH2CN) OPT+FREQ.JPG (file) | 3(CH2CN)_OPT%2BFREQ.JPG) |
47 KB | 1 | |
| 09:03, 13 February 2015 | YY N(CH3)3(CH2CN)+ opt+freq.log (file) | |
230 KB | 1 | |
| 09:02, 13 February 2015 | N(CH3)3(CH2CN) IR.JPG (file) | 3(CH2CN)_IR.JPG) |
46 KB | 2 | |
| 08:55, 13 February 2015 | YY N(CH3)3(CH2CN)+ OPT 631G DP.mol (file) | |
2 KB | 1 | |
| 08:55, 13 February 2015 | YY N(CH3)3(CH2CN)+ OPT 631G DP.LOG (file) | |
58 KB | 1 | |
| 08:54, 13 February 2015 | N(CH3)3(CH2CN) 631G DP.JPG (file) | 3(CH2CN)_631G_DP.JPG) |
51 KB | 1 | |
| 08:33, 13 February 2015 | YY N(CH3)3(CH2OH)+ OPT 631G DP 2.LOG (file) | |
327 KB | 1 | |
| 08:32, 13 February 2015 | YY N(CH3)3(CH2OH)+ opt+freq 2.log (file) | |
216 KB | 1 | |
| 08:32, 13 February 2015 | YY N(CH3)3(CH2OH)+ OPT 631G DP SUM.JPG (file) | 3(CH2OH)%2B_OPT_631G_DP_SUM.JPG) |
49 KB | 1 | |
| 08:32, 13 February 2015 | YY N(CH3)3(CH2OH)+ OPT 631G DP.mol (file) | |
2 KB | 1 | |
| 08:32, 13 February 2015 | YY N(CH3)3(CH2OH)+ opt+freq.JPG (file) | 3(CH2OH)%2B_opt%2Bfreq.JPG) |
49 KB | 1 | |
| 08:31, 13 February 2015 | YY N(CH3)3(CH2OH)+ IR.JPG (file) | 3(CH2OH)%2B_IR.JPG) |
56 KB | 1 | |
| 02:17, 13 February 2015 | YY BBr3 pp bs optimisation 1.log (file) | |
49 KB | 1 | |
| 02:17, 13 February 2015 | YY GaBr3 pp optimisation 1.log (file) | |
41 KB | 1 | |
| 22:44, 12 February 2015 | YY S(CH3)3+ NBO.log (file) | |
427 KB | 1 | |
| 22:41, 12 February 2015 | YY S(CH3)3+ charge distribution number.JPG (file) | 3%2B_charge_distribution_number.JPG) |
26 KB | 1 | |
| 22:41, 12 February 2015 | YY S(CH3)3+ charge distribution colour.JPG (file) | 3%2B_charge_distribution_colour.JPG) |
22 KB | 1 | |
| 22:35, 12 February 2015 | YY S(CH3)3+ IR 1.JPG (file) | 3%2B_IR_1.JPG) |
44 KB | 2 | |
| 22:35, 12 February 2015 | YY S(CH3)3+ OPT+FREQ.log (file) | |
130 KB | 2 | |
| 22:35, 12 February 2015 | YY S(CH3)3+ Opt+freq 1 SUM.JPG (file) | 3%2B_Opt%2Bfreq_1_SUM.JPG) |
45 KB | 2 | |
| 22:32, 12 February 2015 | YY S(CH3)3+ OPT 631G DP.LOG (file) | |
77 KB | 2 | |
| 22:31, 12 February 2015 | YY S(CH3)3+ opt 631g dp.mol (file) | |
1 KB | 2 | |
| 22:31, 12 February 2015 | YY S(CH3)3+ OPT 631G DP SUM.JPG (file) | 3%2B_OPT_631G_DP_SUM.JPG) |
45 KB | 2 | |
| 22:22, 12 February 2015 | YY P(CH3)4+ NBO.log (file) | |
661 KB | 1 | |
| 22:20, 12 February 2015 | YY P(CH3)4+ charge distribution colour.JPG (file) | 4%2B_charge_distribution_colour.JPG) |
27 KB | 1 | |
| 22:20, 12 February 2015 | YY P(CH3)4+ charge distribution number.JPG (file) | 4%2B_charge_distribution_number.JPG) |
30 KB | 1 |
