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This special page shows all uploaded files.
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Date
Name
Thumbnail
Size
Description
Versions
14:23, 2 March 2018
O2 Vibrational Frequencies.png
(
file
)
22 KB
1
14:19, 2 March 2018
O2 Molecular Orbitals.png
(
file
)
346 KB
1
14:11, 2 March 2018
O2 Charge Analysis.png
(
file
)
72 KB
1
13:46, 2 March 2018
O2 RMS Gradient Norm Optimisation.png
(
file
)
158 KB
1
13:45, 2 March 2018
O2 Total Energy Graph Optimisation.png
(
file
)
207 KB
1
13:35, 2 March 2018
O2 Final Set of Optimised Parameters.png
(
file
)
180 KB
1
13:08, 2 March 2018
NH3 Molecular Orbitals.png
(
file
)
300 KB
1
13:05, 2 March 2018
H2 Molecular Orbitals.png
(
file
)
222 KB
1
12:55, 2 March 2018
N2 Molecular Orbitals.png
(
file
)
165 KB
1
12:32, 2 March 2018
N2 Final Set of Optimised Parameters.png
(
file
)
178 KB
1
12:17, 2 March 2018
H2 Final Set of Optimised Parameters.png
(
file
)
299 KB
1
11:03, 2 March 2018
NH3 Vibrational Frequencies.png
(
file
)
186 KB
1
10:39, 2 March 2018
NH3 RMS Gradient Norm Optimisation.png
(
file
)
165 KB
1
10:39, 2 March 2018
NH3 Total Energy Graph Optimisation.png
(
file
)
128 KB
1
10:17, 2 March 2018
NH3 Final Set of Optimised Parameters.png
(
file
)
248 KB
1
09:47, 2 March 2018
ASG17 NH3 OPT POP.txt
(
file
)
228 KB
1
