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This special page shows all uploaded files.
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Date
Name
Thumbnail
Size
Description
Versions
07:41, 24 May 2018
Ssv15 bbr3 freq.log
(
file
)
36 KB
1
16:28, 23 May 2018
Sum table bbr3.PNG
(
file
)
17 KB
1
16:19, 23 May 2018
MO 16 BORAZINE.PNG
(
file
)
48 KB
1
16:18, 23 May 2018
MO 13 BENZENE.PNG
(
file
)
44 KB
1
16:18, 23 May 2018
Mo 9 benzene.PNG
(
file
)
29 KB
1
16:18, 23 May 2018
Borazine mo 9.PNG
(
file
)
41 KB
1
16:17, 23 May 2018
Borazine mo 17.PNG
(
file
)
29 KB
1
16:16, 23 May 2018
Benzene mo 17.PNG
(
file
)
24 KB
1
14:32, 23 May 2018
Benzene nbo charge.PNG
(
file
)
32 KB
1
14:31, 23 May 2018
Ssv15 borazine nbo charge.PNG
(
file
)
31 KB
1
14:15, 23 May 2018
SSV15 BORAZINE FREQ AND MOS.LOG
(
file
)
559 KB
1
14:07, 23 May 2018
Borazine sum table.PNG
(
file
)
38 KB
1
13:26, 23 May 2018
SSV15 BENZENE FREQ AND MOS2.LOG
(
file
)
565 KB
1
12:58, 23 May 2018
Benzene sum table 2.PNG
(
file
)
37 KB
1
12:50, 23 May 2018
Benzene summary table.PNG
(
file
)
29 KB
3
09:56, 23 May 2018
SSV15 BH3NH3 FREQ 631G.LOG
(
file
)
67 KB
1
09:52, 23 May 2018
Ssv15 bh3nh3 summary table.PNG
(
file
)
31 KB
1
08:43, 23 May 2018
SSV15 NH3 FREQ 631G.LOG
(
file
)
41 KB
1
08:22, 23 May 2018
Nh3 optimisation summary table.PNG
(
file
)
20 KB
1
07:51, 23 May 2018
Full mo diagram bh3.PNG
(
file
)
90 KB
1
07:37, 23 May 2018
Ssv15 bh3 MO diagram.PNG
(
file
)
34 KB
1
15:21, 22 May 2018
Ssv15 spectrum for bh3.PNG
(
file
)
20 KB
1
14:54, 22 May 2018
SSV15 BH3 FREQ 631G.LOG
(
file
)
73 KB
1
14:39, 22 May 2018
Ssv15 item table for bh3 optimised.PNG
(
file
)
10 KB
1
14:34, 22 May 2018
Ssv15 summary table for optimised bh3.PNG
(
file
)
37 KB
1
14:26, 22 May 2018
Summary table for optimised bh3.PNG
(
file
)
37 KB
1
17:03, 3 May 2018
Ssv15 potential energy surface plot of the F-H-H system.png
(
file
)
95 KB
1
16:39, 2 May 2018
Ssv15 internuclear momenta vs time.png
(
file
)
48 KB
1
16:14, 2 May 2018
Ssv15 internuclear distance vs time plot for the transition state of F-H-H.png
(
file
)
14 KB
1
14:05, 2 May 2018
Ssv15 internuclear distance vs time for trajectory 5.png
(
file
)
33 KB
1
14:05, 2 May 2018
Ssv15 internuclear distance vs time for trajectory 4.png
(
file
)
35 KB
1
14:05, 2 May 2018
Ssv15 internuclear distance vs time for trajectory 3.png
(
file
)
28 KB
1
14:04, 2 May 2018
Ssv15 internuclear distance vs time for trajectory 2.png
(
file
)
26 KB
1
14:04, 2 May 2018
Ssv15 internuclear distance vs time for trajectory 1.png
(
file
)
28 KB
1
12:41, 2 May 2018
Ssv15 Internuclear distance vs time for the dynamic calculation.png
(
file
)
25 KB
1
12:41, 2 May 2018
Ssv15 Internuclear distance vs time for the mep calculation.png
(
file
)
19 KB
1
12:34, 2 May 2018
Ssv15 Surface Plot using dynamic calculation.png
(
file
)
24 KB
1
12:32, 2 May 2018
Ssv15 Surface plot using mep calculation.png
(
file
)
16 KB
1
11:07, 2 May 2018
Ssv15 internuclear vs time plot for hydrogens.png
(
file
)
12 KB
1
15:05, 18 February 2016
Charges on H2O molecule.png
(
file
)
35 KB
1
11:35, 18 February 2016
Display vibrations picture H2O.png
(
file
)
15 KB
1
11:26, 18 February 2016
SIYA PHUNT H20 OPTIMISATION POP.LOG
(
file
)
166 KB
1
16:20, 16 February 2016
Display vibrations picture H2.png
(
file
)
17 KB
1
16:14, 16 February 2016
SIYA PHUNT H2 OPTIMISATION POP.LOG
(
file
)
95 KB
1
15:03, 16 February 2016
Display vibrations picture N2.png
(
file
)
16 KB
1
14:55, 16 February 2016
SIYA PHUNT N2 OPTIMISATION POP.LOG
(
file
)
197 KB
2
17:08, 15 February 2016
Charges on NH3 molecule.png
(
file
)
48 KB
1
16:44, 15 February 2016
Display vibrations picture NH3.png
(
file
)
20 KB
1
16:26, 15 February 2016
SIYA PHUNT NH3 OPTIMISATION POP.LOG
(
file
)
228 KB
2
