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Name
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13:06, 7 March 2014
20140306SSDistortedStilbeneOxQTAIMdown2.JPG
(
file
)
38 KB
1
13:05, 7 March 2014
20140306RRStilbeneOxQTAIMup2.JPG
(
file
)
38 KB
1
09:44, 7 March 2014
20140306SSDistortedStilbeneOxQTAIM3.JPG
(
file
)
81 KB
1
09:44, 7 March 2014
20140306SSDistortedStilbeneOxQTAIM2.JPG
(
file
)
69 KB
1
09:43, 7 March 2014
20140306SSDistortedStilbeneOxQTAIM.JPG
(
file
)
51 KB
1
17:52, 6 March 2014
20140306RRStilbeneOxQTAIM2.JPG
(
file
)
59 KB
1
17:49, 6 March 2014
20140306RRStilbeneOxQTAIM.JPG
(
file
)
48 KB
1
16:56, 6 March 2014
20140506RRStilbeneTotalDensity1.cub.jvxl
(
file
)
216 KB
1
16:55, 6 March 2014
20140506RRStilbeneTotalDensity1.cub.xyz
(
file
)
3 KB
1
16:51, 6 March 2014
20140306SSDistortedStilbene.cub.jvxl
(
file
)
204 KB
1
16:50, 6 March 2014
20140306SSDistortedStilbene.cub.xyz
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file
)
3 KB
1
15:47, 6 March 2014
20140306 Predicting the stilbene isomer formed 1d.JPG
(
file
)
88 KB
1
15:46, 6 March 2014
20140306 Predicting the stilbene isomer formed 1c.JPG
(
file
)
51 KB
1
15:41, 6 March 2014
20140306 Predicting the stilbene isomer formed 1b.JPG
(
file
)
50 KB
1
15:40, 6 March 2014
20140306 Predicting the stilbene isomer formed 1a.jpg
(
file
)
123 KB
1
14:41, 6 March 2014
20140306 A picture appearing 2f.JPG
(
file
)
104 KB
1
14:38, 6 March 2014
20140306 A picture appearing 2c.JPG
(
file
)
68 KB
1
14:37, 6 March 2014
20140306 A picture appearing 2b.JPG
(
file
)
65 KB
1
14:35, 6 March 2014
20140306 A picture appearing 2a.JPG
(
file
)
89 KB
1
14:03, 4 March 2014
20140304UpUpNonCovalent.cub.jvxl
(
file
)
89 KB
1
14:03, 4 March 2014
20140304UpUpNonCovalent.cub.xyz
(
file
)
2 KB
1
13:54, 4 March 2014
20140304DownDownNonCovalent.jvxl
(
file
)
89 KB
1
13:54, 4 March 2014
20140304DownDownNonCovalent.xyz
(
file
)
2 KB
1
11:46, 4 March 2014
20140304 O-down S-down B3LYP 6-31Gdp nmr 88835 mo95.cub.jvxl
(
file
)
23 KB
1
11:46, 4 March 2014
20140304 O-down S-down B3LYP 6-31Gdp nmr 88835 mo95.cub.xyz
(
file
)
2 KB
1
22:32, 3 March 2014
20140302 O-down S-down B3LYP 6-31Gdp nmr C unaveraged.svg
(
file
)
22 KB
Predicted carbon NMR spectrum
1
22:31, 3 March 2014
20140302 O-up S-up B3LYP 6-31Gdp nmr C unaveraged.svg
(
file
)
22 KB
Predicted carbon NMR spectrum
1
20:57, 3 March 2014
20140302 O-down S-down B3LYP 6-31Gdp nmr H unaveraged.svg
(
file
)
33 KB
Predicted NMR spectrum
1
20:55, 3 March 2014
20140302 O-up S-up B3LYP 6-31Gdp nmr H unaveraged.svg
(
file
)
33 KB
Predicted NMR spectrum
1
12:48, 3 March 2014
20140303 O-down S-down alkene fragment.jpg
(
file
)
104 KB
Alkene fragment
1
12:39, 3 March 2014
20140303 O-down S-down B3LYP 6-31Gdp predicted alkene peak (excluding no 1).JPG
(
file
)
21 KB
Predicted NMR spectrum
1
12:37, 3 March 2014
20140303 O-down S-down B3LYP 6-31Gdp predicted alkene peak 2.JPG
(
file
)
26 KB
Predicted NMR spectrum
1
12:33, 3 March 2014
20140303 O-down S-down B3LYP 6-31Gdp predicted alkene peak.JPG
(
file
)
25 KB
Predicted NMR spectrum
1
12:20, 3 March 2014
20140302 O-down S-down B3LYP 6-31Gdp nmr.mol
(
file
)
5 KB
Newly calculated O-down S-down isomer
1
12:18, 3 March 2014
20140302 O-down S-down B3LYP 6-31Gdp alkene numbering 1d.jpg
(
file
)
32 KB
Predicted NMR numbering
1
12:07, 3 March 2014
20140303 O-up S-up alkene fragment.jpg
(
file
)
93 KB
Alkene fragment
1
11:59, 3 March 2014
20140303 O-up S-up alkene fragment.mol
(
file
)
1 KB
Alkene fragment
1
11:14, 3 March 2014
20140303 O-up S-up B3LYP 6-31Gdp predicted alkene peak (2-3 and 3-4 only).JPG
(
file
)
20 KB
Predicted NMR spectrum (in-plane protons only)
1
11:06, 3 March 2014
20140303 O-up S-up B3LYP 6-31Gdp predicted alkene peak DD 2.JPG
(
file
)
21 KB
Predicted NMR spectrum
1
11:03, 3 March 2014
20140303 O-up S-up B3LYP 6-31Gdp predicted alkene peak DD.JPG
(
file
)
20 KB
Predicted NMR spectrum
1
10:58, 3 March 2014
20140303 O-up S-up B3LYP 6-31Gdp predicted alkene peak.JPG
(
file
)
31 KB
Alkene proton predicted NMR peak
1
10:40, 3 March 2014
20140302 O-up S-up B3LYP 6-31Gdp alkene numbering 1c.jpg
(
file
)
33 KB
Predicted NMR numbering
1
10:39, 3 March 2014
20140302 O-up S-up B3LYP 6-31Gdp nmr.mol
(
file
)
5 KB
Newly calculated O-up structure
1
19:38, 1 March 2014
20140301 H2napth Ox predicted 2 detail 2.JPG
(
file
)
28 KB
Predicted NMR
1
19:38, 1 March 2014
20140228 H2napth Ox predicted detail 2.JPG
(
file
)
29 KB
Predicted NMR
2
19:37, 1 March 2014
20140301 H2napth Ox predicted 2 detail 1.JPG
(
file
)
28 KB
Predicted NMR
1
19:37, 1 March 2014
20140301 H2napth Ox predicted 2.JPG
(
file
)
31 KB
Predicted NMR
1
19:16, 1 March 2014
20140301 B-MeSty Ox predicted 5 (averaged) detail 2.JPG
(
file
)
24 KB
Room temperature predicted NMR
1
19:15, 1 March 2014
20140301 B-MeSty Ox predicted 5 (averaged) detail 1.JPG
(
file
)
29 KB
Predicted NMR
1
19:15, 1 March 2014
20140301 B-MeSty Ox predicted 5 (averaged).JPG
(
file
)
26 KB
Room temperature predicted NMR
1
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