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Uploads by Ll4915

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Date Name Thumbnail Size Description Versions
16:11, 29 February 2016 LULU NH3 OPTIMISATION.LOG (file) 228 KB   2
16:47, 29 February 2016 Display vibration window of ammonia.JPG (file) 30 KB   3
16:51, 29 February 2016 Vibration ammonia.PNG (file) 23 KB   1
14:34, 3 March 2016 LULU N2 OPT.LOG (file) 154 KB   1
15:12, 3 March 2016 Lulu n2 vibration.PNG (file) 19 KB   1
15:19, 3 March 2016 Lulu h2 vibration.PNG (file) 20 KB   1
15:24, 3 March 2016 LULU H2 OPT.LOG (file) 96 KB   1
17:00, 3 March 2016 LULU CL2 OPT.LOG (file) 288 KB   1
17:06, 3 March 2016 Lulu cl2 opt.PNG (file) 16 KB   1
13:09, 4 March 2016 Lulu 1s bonding.PNG (file) 20 KB   1
13:34, 4 March 2016 Lulu 2s bonding.PNG (file) 31 KB   1
13:46, 4 March 2016 Lulu 2px bonding.PNG (file) 33 KB   1
14:11, 4 March 2016 Lulu pi bonding.PNG (file) 49 KB   1
14:25, 4 March 2016 Lulu 3d antibonding.PNG (file) 46 KB   1
15:10, 4 March 2016 Lulu 3s bonding.PNG (file) 35 KB   1
11:26, 16 May 2017 Question3 surface plot.PNG (file) 108 KB   1
12:26, 16 May 2017 Question3 dynamics plot.PNG (file) 98 KB   1
12:27, 16 May 2017 Question 3 mep plot.PNG (file) 99 KB   1
13:47, 16 May 2017 Ssurface plot r1+0.01 dynamics.PNG (file) 99 KB   1
13:49, 16 May 2017 Surface plot r1+0.01 mep.PNG (file) 99 KB   1
15:09, 16 May 2017 Trajectories set1 surface plot.PNG (file) 100 KB   1
15:41, 16 May 2017 Trajectories set1 internclear distance.PNG (file) 42 KB   2
17:47, 16 May 2017 Trajectories set1 momentum time.PNG (file) 50 KB   2
17:59, 16 May 2017 Trajectories set2 surface plot.PNG (file) 99 KB   1
18:04, 16 May 2017 Trajectories set2 internclear distance.PNG (file) 41 KB   2
18:06, 16 May 2017 Trajectories set2 momentum time.PNG (file) 50 KB   1
18:42, 16 May 2017 Trajectories set3 surface plot.PNG (file) 99 KB   1
18:48, 16 May 2017 Trajectories set3 internclear distance.PNG (file) 42 KB   1
18:49, 16 May 2017 Trajectories set3 momentum time.PNG (file) 51 KB   1
18:52, 16 May 2017 Trajectories set4 surface plot.PNG (file) 103 KB   1
18:55, 16 May 2017 Trajectories set4 momentum time.PNG (file) 63 KB   1
18:58, 16 May 2017 Trajectories set5 internclear distance.PNG (file) 45 KB   2
18:58, 16 May 2017 Trajectories set5 surface plot.PNG (file) 102 KB   1
18:59, 16 May 2017 Trajectories set5 momentum time.PNG (file) 60 KB   1
19:01, 16 May 2017 Trajectories set4 internclear distance.PNG (file) 47 KB   2
13:54, 17 May 2017 F H2 energy start point.PNG (file) 55 KB   1
13:55, 17 May 2017 F H2 energy end point.PNG (file) 55 KB   1
14:07, 17 May 2017 HHFenergystatpoint.PNG (file) 56 KB   1
14:13, 17 May 2017 HFH enegy end point.PNG (file) 56 KB   2
15:18, 17 May 2017 Surface plot transition state distance.PNG (file) 60 KB   2
15:19, 17 May 2017 Internuclear distance of transition state.PNG (file) 38 KB   1
15:22, 17 May 2017 Initial energy of activation energy.PNG (file) 16 KB   1
15:22, 17 May 2017 Final activation energy.PNG (file) 16 KB   1
17:00, 17 May 2017 Initial energy of activation energy of F hh reaction.PNG (file) 17 KB   1
17:04, 17 May 2017 Final activation energy of fhh reaction.PNG (file) 17 KB   1
17:50, 17 May 2017 FH2 reactive trajectory.PNG (file) 87 KB   1
17:54, 17 May 2017 FH2 reactive trajectory momentum time.PNG (file) 47 KB   1
12:41, 18 May 2017 Ke of reactive trajectory.PNG (file) 60 KB   1
12:49, 18 May 2017 Potential of reactive trajectory.PNG (file) 62 KB   1
14:26, 18 May 2017 FHH -2 unreactive.PNG (file) 49 KB   1
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