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This special page shows all uploaded files.
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Date
Name
Thumbnail
Size
Description
Versions
15:59, 8 February 2013
Imaginary frequency of exo ts.gif
(
file
)
150 KB
1
15:59, 8 February 2013
Imaginary frequency of endo ts.gif
(
file
)
167 KB
1
12:04, 8 February 2013
Simplified image of secondary orbital interactions2 .png
(
file
)
24 KB
1
12:04, 8 February 2013
Simpligifed diagram of exo bonding interactions.png
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file
)
22 KB
1
08:26, 8 February 2013
Sketch of mo of butadiene-ethylene.png
(
file
)
30 KB
1
07:54, 8 February 2013
Diels Alder reaction .png
(
file
)
10 KB
1
06:20, 8 February 2013
Image of cope rearrangement reaction scheme.png
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file
)
9 KB
1
19:07, 7 February 2013
Ir spectrum of anti-hexadiene 312G.png
(
file
)
343 KB
1
18:38, 7 February 2013
Cycloadd opt TS.chk
(
file
)
1.43 MB
1
18:02, 7 February 2013
Simplified image of secondary orbital interactions.png
(
file
)
24 KB
1
16:07, 7 February 2013
Homo-lumo plot of exo2.jpg
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file
)
52 KB
1
16:07, 7 February 2013
Homo-lumo plot of endo2.jpg
(
file
)
64 KB
1
16:02, 7 February 2013
Homo-lumo plot of exo.png
(
file
)
75 KB
2
16:02, 7 February 2013
Homo-lumo plot of endo.png
(
file
)
91 KB
2
15:06, 7 February 2013
Image of opt IRC exo.png
(
file
)
48 KB
1
14:19, 7 February 2013
Image of opt IRC endo.png
(
file
)
55 KB
1
14:09, 7 February 2013
Imag of opt IRC.png
(
file
)
44 KB
1
13:55, 7 February 2013
IRC graph of optimised chair.png
(
file
)
1.61 MB
1
23:20, 6 February 2013
Sketch of bond lengths.png
(
file
)
43 KB
1
21:07, 6 February 2013
Image of opt endo ts.png
(
file
)
184 KB
1
22:00, 5 February 2013
IMAGE OF EXO AND ENDO.png
(
file
)
43 KB
1
21:43, 5 February 2013
Opt image of exo ts.png
(
file
)
281 KB
1
20:48, 5 February 2013
HOMO and LUMO plot of tS of cycl.png
(
file
)
48 KB
2
20:31, 5 February 2013
Animation of first lowest frequency of tran.gif
(
file
)
535 KB
1
20:28, 5 February 2013
Imaginary vibration of TS.gif
(
file
)
523 KB
2
22:33, 4 February 2013
Image of plotted homolumo butadiene.png
(
file
)
53 KB
1
21:52, 4 February 2013
Image of optimised cycloadd TS.png
(
file
)
64 KB
1
09:54, 4 February 2013
Image of homo orbital of butadiene.png
(
file
)
213 KB
1
09:54, 4 February 2013
Image of lumo orbital of butadiene.png
(
file
)
235 KB
1
09:46, 4 February 2013
Screenshot of vibrations of butadiene.png
(
file
)
38 KB
1
18:10, 3 February 2013
Image of boat opt.png
(
file
)
34 KB
1
16:22, 3 February 2013
Image of chair opt.png
(
file
)
33 KB
1
16:25, 2 February 2013
IR specrum of Hexadiene using a 3-21G basis set.png
(
file
)
837 KB
1
14:56, 1 February 2013
Animation of 3,3-sigma cope rearrangement of boat structure.gif
(
file
)
534 KB
1
14:45, 1 February 2013
Checkpoint 70756 chair fcm 2.out
(
file
)
365 KB
1
14:42, 1 February 2013
3,3-sigmatropic co rearrangement animation.gif
(
file
)
479 KB
1
14:35, 1 February 2013
Sreen shot of frequencies for freeze coordinate method for chair opt.png
(
file
)
83 KB
1
13:42, 1 February 2013
Boat janie image opt.png
(
file
)
263 KB
2
13:42, 1 February 2013
Image of boat optimisation structure 2.png
(
file
)
216 KB
1
15:27, 31 January 2013
Screen shot of reactant and product boat structure.png
(
file
)
41 KB
2
15:16, 31 January 2013
Screen shot of vibrations from opt+freq calculations of boatTS.png
(
file
)
88 KB
1
15:16, 31 January 2013
Image of boat optimisation structure.png
(
file
)
223 KB
1
20:35, 29 January 2013
Animation of imaginary freq.gif
(
file
)
574 KB
1
20:24, 29 January 2013
Screen shot of vibrations from opt+freq calculation.png
(
file
)
57 KB
1
20:13, 29 January 2013
Image of optimised chair conformer.png
(
file
)
75 KB
1
16:14, 29 January 2013
Image of Boat and Chair TS .png
(
file
)
11 KB
1
15:31, 29 January 2013
IR spectrum of Hexadiene.png
(
file
)
45 KB
1
15:47, 28 January 2013
Gauge image.png
(
file
)
239 KB
2
14:06, 28 January 2013
Structure of 15 gauge hexadiene.png
(
file
)
141 KB
1
13:18, 28 January 2013
Structure of 15 hexadiene.png
(
file
)
167 KB
1
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