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Uploads by Aab1817

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Date Name Thumbnail Size Description Versions
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
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