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Uploads by Rf116

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Date Name Thumbnail Size Description Versions
14:05, 22 May 2018 BH3 optimisation 321 summary table.png (file) 48 KB   1
22:19, 10 May 2018 37 final trajectory skew plot.jpg (file) 41 KB   1
22:18, 10 May 2018 36 reactive trajector final image.jpg (file) 68 KB   1
22:14, 10 May 2018 35 final part 1 firstsetupinitialconditions.jpg (file) 62 KB   1
22:12, 10 May 2018 34 calculation pFH0.8 pHH0.1.jpg (file) 67 KB   1
22:11, 10 May 2018 33 calculation3 3 minus2.9.jpg (file) 73 KB   1
22:11, 10 May 2018 32 calculation3 3 minus2.5.jpg (file) 71 KB   1
22:10, 10 May 2018 31 calculation3 3 minus2.0.jpg (file) 74 KB   1
22:10, 10 May 2018 30 calculation3 3 minus1.5.jpg (file) 69 KB   1
22:10, 10 May 2018 29 calculation3 3 minus1.jpg (file) 68 KB   1
22:07, 10 May 2018 28 calculation3 3 minus0.5.jpg (file) 68 KB   1
22:07, 10 May 2018 27 calculation3 3 0.jpg (file) 67 KB   1
22:07, 10 May 2018 26 calculation3 3 plus 0.5.jpg (file) 67 KB   1
22:07, 10 May 2018 25 calculation3 3 plus 1.0.jpg (file) 66 KB   1
22:03, 10 May 2018 24 calculation3 3 plus 1.5.jpg (file) 68 KB   1
22:02, 10 May 2018 23 calculation3 3 plus 2.jpg (file) 68 KB   1
22:01, 10 May 2018 22 calculation3 3 plus 2.5.jpg (file) 69 KB   1
21:59, 10 May 2018 21 calculation3 3 plus 2.9.jpg (file) 74 KB   1
21:35, 10 May 2018 20 reactivetraj.jpg (file) 99 KB   1
21:35, 10 May 2018 19 reactivetraj.jpg (file) 154 KB   1
21:26, 10 May 2018 18 transitionstate.jpg (file) 138 KB   1
21:26, 10 May 2018 17 transitionstate.jpg (file) 108 KB   1
20:46, 10 May 2018 16 exoendo.jpg (file) 106 KB   1
20:46, 10 May 2018 15 exoendo.jpg (file) 82 KB   1
19:25, 10 May 2018 14 table.jpg (file) 123 KB   1
19:25, 10 May 2018 13 table.jpg (file) 118 KB   1
19:25, 10 May 2018 12 table.jpg (file) 109 KB   1
19:25, 10 May 2018 11 table.jpg (file) 103 KB   1
19:22, 10 May 2018 10 table.jpg (file) 134 KB   1
19:13, 10 May 2018 9 initialfinal.jpg (file) 78 KB   1
19:11, 10 May 2018 8 finalinitial.jpg (file) 55 KB   2
19:03, 10 May 2018 7 reverse.jpg (file) 108 KB   1
18:57, 10 May 2018 6 momentatime.jpg (file) 67 KB   1
18:56, 10 May 2018 5 distvstime.jpg (file) 44 KB   1
18:41, 10 May 2018 3 mep 2.jpg (file) 104 KB   1
18:38, 10 May 2018 3 mep.jpg (file) 118 KB   1
18:33, 10 May 2018 2 ts contourmap.jpg (file) 129 KB   1
18:12, 10 May 2018 1 dist time.jpg (file) 47 KB   1
09:57, 17 March 2017 Molecular Orbital Final.png (file) 387 KB   1
09:20, 17 March 2017 Molecular Orbital 5.png (file) 362 KB   3
11:46, 16 March 2017 Molecular Orbital 4.png (file) 391 KB   1
11:44, 16 March 2017 Molecular Orbital 3.png (file) 242 KB   1
11:39, 16 March 2017 Molecular Orbital 2.png (file) 364 KB   1
11:32, 16 March 2017 Molecular Orbital 1.png (file) 420 KB   1
10:48, 16 March 2017 Cropped H2SiO freq.png (file) 16 KB   1
10:22, 16 March 2017 RACHAEL FOUND H2SIO OPT.LOG (file) 348 KB   1
09:27, 16 March 2017 RACHAEL FOUND HYDROGEN OPTIMISED 2.LOG (file) 95 KB   1
11:56, 13 March 2017 RACHAEL FOUND NH2 MOLECULE.LOG (file) 196 KB   2
10:50, 13 March 2017 Vibrations Screen Shot.png (file) 17 KB   1
10:33, 13 March 2017 RACHAEL FOUND PHUNT NH3 OPTF POP.LOG (file) 228 KB   2
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