Uploads by Aab1817
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Date | Name | Thumbnail | Size | Description | Versions |
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14:57, 10 May 2019 | 01346889 table4.png (file) | ![]() |
130 KB | 1 | |
14:57, 10 May 2019 | 01346889 table3.png (file) | ![]() |
123 KB | 1 | |
14:57, 10 May 2019 | 01346889 table2.png (file) | ![]() |
122 KB | 1 | |
14:57, 10 May 2019 | 01346889 table1.png (file) | ![]() |
123 KB | 1 | |
14:40, 10 May 2019 | 01346889 mep.png (file) | ![]() |
120 KB | 1 | |
14:40, 10 May 2019 | 01346889 dyn.png (file) | ![]() |
125 KB | 1 | |
14:24, 10 May 2019 | 01346889 TS1d.png (file) | ![]() |
13 KB | 1 | |
14:24, 10 May 2019 | 01346889 TS1c.png (file) | ![]() |
118 KB | TS determination using the contour plot of the reaction. Here plotted using the position of the TS. | 1 |
11:12, 23 March 2018 | 7orbch4 01346889.png (file) | ![]() |
140 KB | orb 5 | 1 |
11:11, 23 March 2018 | 6orbch4 01346889.png (file) | ![]() |
129 KB | orb 4 | 1 |
11:11, 23 March 2018 | 3orbch4 01346889.png (file) | ![]() |
90 KB | orb3 | 1 |
11:08, 23 March 2018 | 2orbch4 01346889.png (file) | ![]() |
77 KB | orb 2 | 1 |
11:08, 23 March 2018 | 1orbch4 01346889.jpg (file) | ![]() |
77 KB | orb1 | 1 |
10:58, 23 March 2018 | CH4OPTIMISATION1 01346889.LOG (file) | ![]() |
242 KB | log ch4 | 1 |
11:41, 22 March 2018 | Diagram01346889.png (file) | ![]() |
501 KB | 1 | |
10:38, 22 March 2018 | CH4displayscreenshot01346889.png (file) | ![]() |
32 KB | ch4 display vib | 1 |
10:25, 22 March 2018 | NH3displayscreenshot01346889.png (file) | ![]() |
39 KB | vibrations | 1 |
10:13, 22 March 2018 | N2OPTIMISATION1 01346889.LOG (file) | ![]() |
196 KB | 1 | |
10:12, 22 March 2018 | H2OPTIMISATION1 01346889.LOG (file) | ![]() |
95 KB | h2 | 1 |
10:32, 19 March 2018 | NH3OPTIMISATION2 01346889.LOG (file) | ![]() |
228 KB | NH3 optimisation data | 1 |