Uploads by Ft311
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Date | Name | Thumbnail | Size | Description | Versions |
---|---|---|---|---|---|
11:49, 8 October 2013 | BH3 OPTIMISATION.LOG (file) | ![]() |
49 KB | 15 | |
18:24, 9 October 2013 | Bbh3.png (file) | ![]() |
173 KB | 1 | |
19:09, 9 October 2013 | BH3 OPTIMISATION 631G DP.LOG (file) | ![]() |
49 KB | 2 | |
11:03, 10 October 2013 | Bh3 optimisation graphs.png (file) | ![]() |
71 KB | 2 | |
12:58, 10 October 2013 | BBR3 optimisation output.log (file) | ![]() |
50 KB | 1 | |
13:04, 10 October 2013 | Bbr3.PNG (file) | 20 KB | 3 | ||
16:05, 10 October 2013 | BH3 NEW FREQ.LOG (file) | ![]() |
26 KB | 1 | |
16:56, 10 October 2013 | 1 bh3.gif (file) | ![]() |
595 KB | 1 | |
16:59, 10 October 2013 | 2 bh3.gif (file) | ![]() |
736 KB | 1 | |
17:01, 10 October 2013 | 3 bh3.gif (file) | ![]() |
684 KB | 1 | |
17:04, 10 October 2013 | 4 bh3.gif (file) | ![]() |
648 KB | 1 | |
17:04, 10 October 2013 | 5 bh3.gif (file) | ![]() |
685 KB | 1 | |
17:05, 10 October 2013 | 6 bh3.gif (file) | ![]() |
659 KB | 1 | |
18:38, 10 October 2013 | Bbh3 ir.PNG (file) | 44 KB | 2 | ||
19:22, 10 October 2013 | GaBr3 ir.PNG (file) | 44 KB | 1 | ||
14:52, 11 October 2013 | Bh3 MO diagram chemdraw.cdx (file) | ![]() |
117 KB | 1 | |
18:45, 11 October 2013 | NH3 OPTIMISATION 631G DP.LOG (file) | ![]() |
48 KB | 1 | |
18:52, 11 October 2013 | NH3 FREQUENCY 631G DP.LOG (file) | ![]() |
26 KB | 1 | |
18:57, 11 October 2013 | NH3 energy 631G DP.log (file) | ![]() |
59 KB | 1 | |
19:02, 11 October 2013 | NH3 energy 631G DP checkpoint.fchk (file) | ![]() |
35 KB | 2 | |
19:16, 11 October 2013 | Charge distribution nh3.PNG (file) | 178 KB | 2 | ||
19:23, 11 October 2013 | Nbo numbers nh3.PNG (file) | 142 KB | 1 | ||
19:27, 11 October 2013 | NH3BH3 OPTIMISATION -.LOG (file) | ![]() |
92 KB | 1 | |
19:38, 11 October 2013 | Nh3bh3.PNG (file) | 28 KB | 1 | ||
20:25, 11 October 2013 | Nh3bh3 ir.PNG (file) | 59 KB | 2 | ||
16:55, 14 October 2013 | N(CH3)4optimised.PNG (file) | 36 KB | 1 | ||
17:06, 14 October 2013 | P(CH3)4optimised.PNG (file) | 35 KB | 1 | ||
18:32, 14 October 2013 | S(CH3)3optimised.PNG (file) | 31 KB | 1 | ||
12:33, 15 October 2013 | N(CH3)4OPTIMISATION.LOG (file) | ![]() |
149 KB | 1 | |
12:39, 15 October 2013 | P(CH3)4OPTIMISATION.LOG (file) | ![]() |
167 KB | 1 | |
12:43, 15 October 2013 | S(CH3)3OPTIMISATION.LOG (file) | ![]() |
99 KB | 1 | |
12:56, 15 October 2013 | S(CH3)3FREQUENCY.LOG (file) | ![]() |
61 KB | 1 | |
19:54, 15 October 2013 | Mo 10.PNG (file) | 176 KB | 7 | ||
20:05, 15 October 2013 | Mo 16.PNG (file) | 203 KB | 6 | ||
20:36, 15 October 2013 | Mo 11.PNG (file) | 204 KB | 4 | ||
20:56, 15 October 2013 | Mo 22.PNG (file) | 245 KB | 2 | ||
21:19, 15 October 2013 | Mo 17.PNG (file) | 203 KB | 1 | ||
21:25, 15 October 2013 | N(CH3)4energy.fchk (file) | ![]() |
466 KB | 1 | |
21:33, 15 October 2013 | N(CH3)4IR.PNG (file) | 25 KB | 1 | ||
21:38, 15 October 2013 | Real N(CH3)4IR.PNG (file) | 25 KB | 1 | ||
21:43, 15 October 2013 | P(CH3)4IR.PNG (file) | 25 KB | 1 | ||
21:47, 15 October 2013 | S(CH3)3ir.PNG (file) | 29 KB | 1 | ||
12:14, 16 October 2013 | N(CH3)4+ NBO.PNG (file) | 251 KB | 1 | ||
12:14, 16 October 2013 | P(CH3)4+ NBO.PNG (file) | 35 KB | 1 | ||
12:17, 16 October 2013 | S(CH3)3 NBO.PNG (file) | 28 KB | 2 | ||
12:23, 16 October 2013 | P(CH3)4 NBO.PNG (file) | 35 KB | 1 | ||
12:25, 16 October 2013 | N(CH3)4 energy NBO.PNG (file) | 38 KB | 2 | ||
16:38, 16 October 2013 | N(CH3)4 energy.log (file) | ![]() |
625 KB | 1 | |
16:38, 16 October 2013 | P(CH3)4 energy.log (file) | ![]() |
661 KB | 1 | |
16:38, 16 October 2013 | S(CH3)3 energy.log (file) | ![]() |
427 KB | 1 |