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This special page shows all uploaded files.
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Date
Name
Thumbnail
Size
Description
Versions
22:35, 24 October 2017
MD volume vs T.png
(
file
)
58 KB
1
22:32, 24 October 2017
Thermal expansion large.PNG
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file
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1 KB
1
22:29, 24 October 2017
Thermal expansion incremental.PNG
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file
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1 KB
1
22:24, 24 October 2017
QHA Volume vs T.png
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file
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65 KB
1
22:21, 24 October 2017
QHA Helm vs T.png
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file
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41 KB
1
22:04, 24 October 2017
DOS 32.PNG
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10 KB
2
21:57, 24 October 2017
DOS 24.PNG
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file
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18 KB
1
21:54, 24 October 2017
DOS 1.PNG
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file
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16 KB
1
21:49, 24 October 2017
Helmholtz QHA.PNG
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file
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3 KB
1
21:47, 24 October 2017
Disperison curve 3D Dia.PNG
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file
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15 KB
1
21:39, 24 October 2017
Disperison curve 1D Dia.PNG
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file
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29 KB
1
21:35, 24 October 2017
Disperison curve 1D Mono.PNG
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file
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5 KB
1
21:27, 24 October 2017
1 Relation bettween k and frequency.PNG
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file
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8 KB
1
21:17, 24 October 2017
Demonstrating 1D monatomic molecule.PNG
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file
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8 KB
1
21:04, 24 October 2017
Equation for k.PNG
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file
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669 bytes
1
15:41, 19 May 2017
H-H-H transitionstate pot energy cas115.PNG
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file
)
43 KB
1
15:38, 19 May 2017
H-F-H transitionstate pot energy cas115.PNG
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file
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44 KB
1
15:32, 19 May 2017
Massive vib energy 2cas115.PNG
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file
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79 KB
1
15:00, 19 May 2017
Too high vib cas115.PNG
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file
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115 KB
1
14:21, 19 May 2017
Low vib energy 1cas115.PNG
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file
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119 KB
1
14:15, 19 May 2017
Massive vib energy 1cas115.PNG
(
file
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75 KB
1
13:50, 19 May 2017
Change of high pot to vib cas115.PNG
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file
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106 KB
1
15:50, 9 May 2017
H-F-H transitionstate 2 full images cas115.PNG
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file
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40 KB
1
15:28, 9 May 2017
Activation energy full reactant energy cas115.png
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file
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40 KB
2
15:25, 9 May 2017
H-F-H transitionstate full images cas115.png
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file
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56 KB
3
14:44, 9 May 2017
H-F-H transitionstate bond distances cas115.png
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file
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46 KB
2
14:00, 9 May 2017
Activation energy zoom reactant energy cas115.png
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file
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42 KB
1
13:32, 9 May 2017
Transition state determination H2 cas115.png
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file
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104 KB
1
12:28, 9 May 2017
H-F-H transitionstate zoom cas115.png
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file
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73 KB
2
21:40, 8 May 2017
Hydrodgenflouride add hydrodgen reaction energy cas115.png
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file
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53 KB
1
21:20, 8 May 2017
Flourine add dihydrodgen reaction energy cas115.png
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file
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35 KB
1
18:50, 8 May 2017
Path5 reaction cas115.png
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file
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120 KB
1
18:32, 8 May 2017
Path4 reaction cas115.png
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file
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132 KB
1
18:11, 8 May 2017
Path3 reaction cas115.png
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file
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110 KB
1
17:54, 8 May 2017
Path2 reaction cas115.png
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file
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132 KB
1
17:42, 8 May 2017
Path1 reaction cas115.png
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file
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111 KB
1
16:01, 8 May 2017
MEP H2 cas115.png
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file
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86 KB
1
16:00, 8 May 2017
Molecular dynamics comparison to MEP cas115.png
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file
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86 KB
1
15:27, 8 May 2017
Transition state minima H2 cas115.png
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file
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40 KB
2
15:22, 4 March 2016
HCl molecule.png
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file
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43 KB
1
14:17, 4 March 2016
LOMO for Cl2.png
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file
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108 KB
1
14:17, 4 March 2016
HOMO for Cl2.png
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file
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104 KB
1
16:47, 2 March 2016
Cl2 MO s orbitals no overlap.png
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file
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50 KB
1
16:47, 2 March 2016
Cl2 MO sigma antibonding.png
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file
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75 KB
2
16:47, 2 March 2016
Cl2 sigma bonding.png
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file
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70 KB
2
16:46, 2 March 2016
Cl2 MO p orbital X orientation.png
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file
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52 KB
1
16:45, 2 March 2016
Cl2 MO p orbital Y orientation.png
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file
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50 KB
1
16:22, 2 March 2016
CL2 OPTIMISED.LOG
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file
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268 KB
1
16:15, 2 March 2016
CL2 optimised.chk
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file
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716 KB
1
15:44, 2 March 2016
CL2 MOs.gjf
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file
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287 bytes
1
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