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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
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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
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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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