File list
This special page shows all uploaded files.
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| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:29, 2 May 2019 | NH3 TEST.LOG (file) |  |
70 KB | 1 | |
| 07:20, 21 February 2019 | NH3 3589 2.png (file) |  |
29 KB | 1 | |
| 07:20, 21 February 2019 | NH3 3589 1.png (file) |  |
26 KB | 1 | |
| 07:20, 21 February 2019 | NH3 3461.png (file) |  |
32 KB | 1 | |
| 07:19, 21 February 2019 | NH3 1694 2.png (file) |  |
34 KB | 1 | |
| 07:19, 21 February 2019 | NH3 1694 1.png (file) |  |
32 KB | 1 | |
| 07:15, 21 February 2019 | NH3 1090.png (file) |  |
32 KB | 1 | |
| 15:38, 21 May 2018 | Ch3ch2oh spacefill.png (file) |  |
78 KB | 1 | |
| 15:34, 21 May 2018 | Ch3ch2oh cavity.png (file) |  |
97 KB | 1 | |
| 08:16, 1 May 2018 | Gv nh3 spectrum.jpg (file) |  |
797 KB | 2 | |
| 06:28, 1 May 2018 | Phunt nh3 summary.png (file) |  |
43 KB | 1 | |
| 06:15, 1 May 2018 | Phunt nh3 freq.log (file) | |
28 KB | 1 | |
| 17:57, 19 April 2018 | Li4me4 b3lyp 431gd opt.txt (file) |  |
1 KB | 1 | |
| 19:02, 4 April 2018 | Ch3oh mk 2D.pdf (file) |  |
12 KB | 1 | |
| 18:27, 4 April 2018 | C flexibility 1.png (file) |  |
54 KB | 1 | |
| 16:09, 4 April 2018 | Esp mk points all 3D 2.png (file) |  |
119 KB | 1 | |
| 10:26, 30 March 2018 | Cavity isosurface 1.3.png (file) |  |
106 KB | 1 | |
| 08:13, 30 March 2018 | Esp diff real vs resp mk exlude 1.png (file) |  |
103 KB | 1 | |
| 07:34, 30 March 2018 | Esp diff real vs resp mk 1.png (file) |  |
92 KB | 1 | |
| 07:39, 29 March 2018 | Esp mk points slice 2D 1.png (file) |  |
64 KB | 1 | |
| 07:38, 29 March 2018 | Esp mk points slice 3D 1.png (file) |  |
133 KB | 1 | |
| 07:05, 29 March 2018 | Esp mk points 1.png (file) |  |
159 KB | 2 | |
| 18:30, 26 March 2018 | Excell ch3oh mk grid 1.xlsx (file) | |
58 KB | 1 | |
| 18:22, 26 March 2018 | Profit ch3oh mk grid 1.png (file) |  |
453 KB | 1 | |
| 14:55, 28 July 2015 | File input1.jpg (file) |  |
55 KB | 1 | |
| 14:54, 28 July 2015 | File input1.tiff (file) | |
103 KB | 1 | |
| 15:50, 17 July 2015 | TEST CUSO4 DLPOLY HISTORY.rtf (file) | |
7.33 MB | 1 | |
| 15:44, 17 July 2015 | CUSO4 DLPOLY HISTORY.txt (file) | |
7.33 MB | 1 | |
| 15:27, 17 July 2015 | Test.rtf (file) | |
340 B | 1 | |
| 09:24, 12 October 2014 | Basic traj script.txt (file) | |
1 KB | 1 | |
| 08:58, 12 October 2014 | Basic script.txt (file) | |
1 KB | 1 | |
| 08:28, 11 October 2014 | Rot movie.gif (file) |  |
268 KB | 3 | |
| 16:42, 7 September 2014 | Gv nh3 freq summary.jpg (file) |  |
53 KB | 1 | |
| 16:37, 7 September 2014 | Nh3 frequency.log (file) | |
25 KB | 1 | |
| 11:49, 7 September 2014 | AsBr3 pp opt2.mol2 (file) | |
310 B | 1 | |
| 11:39, 7 September 2014 | Nbr3 mixed opt1.mol2 (file) | |
343 B | 1 | |
| 11:38, 7 September 2014 | Gv nbr3 opt summary.jpg (file) |  |
56 KB | 1 | |
| 10:46, 7 September 2014 | Nh3 optimisation2.log (file) | |
47 KB | 1 | |
| 10:33, 7 September 2014 | AsBr3 pp opt1.mol2 (file) | |
331 B | 1 | |
| 10:31, 7 September 2014 | Gv asbr3 opt summary.jpg (file) |  |
53 KB | 1 | |
| 07:39, 7 September 2014 | Nh3 optimisation2.mol2 (file) | |
323 B | 1 | |
| 07:36, 7 September 2014 | Gv nh3 opt2 summary.jpg (file) |  |
51 KB | 1 | |
| 10:35, 6 September 2014 | Nh3 optimisation.log (file) | |
52 KB | 1 | |
| 09:59, 6 September 2014 | Nh3 optimisation.mol2 (file) | |
323 B | 1 | |
| 09:36, 6 September 2014 | Gv nh3 summary.jpg (file) |  |
50 KB | 1 | |
| 09:34, 6 September 2014 | Gv nh3 summary data.jpg (file) |  |
90 KB | 1 | |
| 15:34, 7 October 2013 | Cume2.log (file) | |
81 KB | 1 | |
| 11:00, 28 September 2012 | Bh3 631gdp opt.mol (file) | |
430 B | 1 | |
| 10:39, 28 September 2012 | Wiki test page.jpg (file) |  |
60 KB | 1 | |
| 10:36, 28 September 2012 | Wiki start.jpg (file) |  |
51 KB | 2 |
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