Uploads by Aac211
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Date | Name | Thumbnail | Size | Description | Versions |
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13:12, 7 October 2013 | BH3OPTIMISATION1.LOG (file) | ![]() |
48 KB | First optimisation | 1 |
14:44, 7 October 2013 | BH3optimisation1TOTALE.JPG (file) | 64 KB | 2 | ||
14:52, 7 October 2013 | BH3optimisation1TOTALE.jpg (file) | ![]() |
64 KB | 1 | |
14:54, 7 October 2013 | BH3optimisation1RMSGRADIENT.JPG (file) | 70 KB | 1 | ||
15:07, 7 October 2013 | BH3OPTIMISATION2.LOG (file) | ![]() |
32 KB | 1 | |
15:40, 7 October 2013 | BH3optimisation2TOTALE.JPG (file) | 71 KB | 1 | ||
15:42, 7 October 2013 | BH3optimisation2RMSGRADIENT.JPG (file) | 66 KB | 1 | ||
16:11, 7 October 2013 | GaBr3OPTIMISATION1.log (file) | ![]() |
41 KB | 2 | |
16:50, 7 October 2013 | BBr3OPTIMISATION.log (file) | ![]() |
8 KB | 1 | |
17:41, 7 October 2013 | BBr3OPTIMISATION2.log (file) | ![]() |
50 KB | 1 | |
12:13, 8 October 2013 | ALIX BH3 FREQUENCY3.LOG (file) | ![]() |
26 KB | 1 | |
12:44, 8 October 2013 | BH3 IR Spectrum alix.JPG (file) | 45 KB | 1 | ||
13:12, 8 October 2013 | BH3 vib1 alix.gif (file) | ![]() |
262 KB | 1 | |
13:18, 8 October 2013 | BH3 vib2 alix.gif (file) | ![]() |
301 KB | 1 | |
13:20, 8 October 2013 | BH3 vib3 alix.gif (file) | ![]() |
313 KB | 1 | |
13:20, 8 October 2013 | BH3 vib4 alix.gif (file) | ![]() |
312 KB | 1 | |
13:20, 8 October 2013 | BH3 vib5 alix.gif (file) | ![]() |
286 KB | 1 | |
13:21, 8 October 2013 | BH3 vib6 alix.gif (file) | ![]() |
276 KB | 1 | |
14:16, 8 October 2013 | GaBr3 vib1 alix.gif (file) | ![]() |
218 KB | 1 | |
14:16, 8 October 2013 | GaBr3 vib2 alix.gif (file) | ![]() |
216 KB | 1 | |
14:17, 8 October 2013 | GaBr3 vib3 alix.gif (file) | ![]() |
227 KB | 1 | |
14:17, 8 October 2013 | GaBr3 vib4 alix.gif (file) | ![]() |
220 KB | 1 | |
14:17, 8 October 2013 | GaBr3 vib5 alix.gif (file) | ![]() |
220 KB | 1 | |
14:18, 8 October 2013 | GaBr3 vib6 alix.gif (file) | ![]() |
212 KB | 1 | |
14:20, 8 October 2013 | GaBr3 IR Spectrum alix.JPG (file) | 49 KB | 1 | ||
12:23, 9 October 2013 | ALIX GaBr3 FREQUENCY2.log (file) | ![]() |
28 KB | 1 | |
12:32, 9 October 2013 | BH3 MO.log (file) | ![]() |
44 KB | 2 | |
14:02, 9 October 2013 | NH3 OPTIMISATION alix.LOG (file) | ![]() |
41 KB | 1 | |
14:12, 9 October 2013 | ALIX NH3 FREQUENCY.LOG (file) | ![]() |
24 KB | 1 | |
14:56, 9 October 2013 | NH3 MO.log (file) | ![]() |
57 KB | 1 | |
15:49, 9 October 2013 | NH3BH3 OPTIMISATION alix.LOG (file) | ![]() |
92 KB | 1 | |
16:08, 9 October 2013 | NH3BH3 vibrations alix.JPG (file) | 28 KB | 1 | ||
16:51, 9 October 2013 | MO diagram2 alix.jpg (file) | ![]() |
95 KB | 2 | |
12:07, 10 October 2013 | NH3 OPTIMISATION2 alix.LOG (file) | ![]() |
47 KB | 1 | |
12:41, 10 October 2013 | NH3 vib1 alix.gif (file) | ![]() |
397 KB | 3 | |
12:41, 10 October 2013 | NH3 vib2 alix.gif (file) | ![]() |
407 KB | 3 | |
12:42, 10 October 2013 | NH3 vib3 alix.gif (file) | ![]() |
383 KB | 3 | |
12:42, 10 October 2013 | NH3 vib4 alix.gif (file) | ![]() |
341 KB | 3 | |
12:43, 10 October 2013 | NH3 vib5 alix.gif (file) | ![]() |
381 KB | 3 | |
12:43, 10 October 2013 | NH3 vib6 alix.gif (file) | ![]() |
383 KB | 3 | |
12:44, 10 October 2013 | NH3 IR Spectrum alix.JPG (file) | 75 KB | 2 | ||
12:55, 10 October 2013 | NH3 MO2.log (file) | ![]() |
59 KB | 1 | |
12:59, 10 October 2013 | NH3 charge distribution alix.JPG (file) | 12 KB | 3 | ||
16:17, 10 October 2013 | NH3 charge distribution numbs alix.JPG (file) | 7 KB | 1 | ||
06:55, 11 October 2013 | BH3optimisation2TOTALE.jpg (file) | ![]() |
71 KB | 1 | |
11:30, 11 October 2013 | ALIX NH3 FREQUENCY4.LOG (file) | ![]() |
26 KB | 2 | |
12:09, 11 October 2013 | ALIX NH3BH3 FREQUENCY.log (file) | ![]() |
37 KB | 3 | |
12:26, 11 October 2013 | MO diagram alix.jpg (file) | ![]() |
104 KB | 3 | |
12:57, 13 October 2013 | Benzene optimisation alix.log (file) | ![]() |
60 KB | 1 | |
13:09, 13 October 2013 | Benzene optimisation (constrained) alix.log (file) | ![]() |
65 KB | 1 |