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This special page shows all uploaded files.
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Name
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12:02, 28 March 2012
EXO imaginary frequency kandy.gif
(
file
)
431 KB
1
12:01, 28 March 2012
EXO lowest real frequency kandy.gif
(
file
)
431 KB
1
11:59, 28 March 2012
ENDO imaginary frequency kandy.gif
(
file
)
401 KB
1
11:57, 28 March 2012
ENDO lowest real frequency kandy.gif
(
file
)
401 KB
1
02:59, 28 March 2012
IRC path for TS (1st DA reaction).JPG
(
file
)
97 KB
1
02:56, 28 March 2012
Cyclohexadiene optimised reagent.jpg
(
file
)
59 KB
1
02:56, 28 March 2012
Maleic acid optimised reagent.jpg
(
file
)
57 KB
1
02:43, 28 March 2012
Literature bond lengths for TS (Kandy).JPG
(
file
)
30 KB
1
02:39, 28 March 2012
DA product vibrational mode (lowest positive frequency) kandy.gif
(
file
)
488 KB
1
02:36, 28 March 2012
DA product vibrational mode (imaginary).gif
(
file
)
504 KB
2
19:50, 27 March 2012
Anti-2 conformer jmol kg (6-31g method).mol2
(
file
)
990 bytes
1
19:50, 27 March 2012
Gauche-6 conformer jmol kg.mol2
(
file
)
975 bytes
1
19:50, 27 March 2012
Gauche-5 conformer jmol kg.mol2
(
file
)
973 bytes
1
19:49, 27 March 2012
Gauche-4 conformer jmol kg.mol2
(
file
)
973 bytes
1
19:49, 27 March 2012
Gauche-3 conformer jmol kg.mol2
(
file
)
973 bytes
1
19:49, 27 March 2012
Gauche-2 conformer jmol kg.mol2
(
file
)
973 bytes
1
19:49, 27 March 2012
Gauche-1 conformer jmol kg.mol2
(
file
)
973 bytes
1
19:49, 27 March 2012
Anti-4 conformer jmol kg.mol2
(
file
)
975 bytes
1
19:49, 27 March 2012
Anti-3 conformer jmol kg.mol2
(
file
)
975 bytes
1
19:30, 27 March 2012
Anti-1 conformer jmol kg.mol2
(
file
)
976 bytes
2
18:57, 27 March 2012
Anti-2 conformer jmol kg.mol2
(
file
)
975 bytes
1
18:37, 27 March 2012
Vinyl interaction (kg).jpg
(
file
)
172 KB
1
18:32, 27 March 2012
Pi alkene interaction.jpg
(
file
)
170 KB
1
19:57, 20 March 2012
N=50 always kandy both plots (BOAT).JPG
(
file
)
137 KB
1
19:57, 20 March 2012
N=50 once kandy both plots (BOAT).JPG
(
file
)
130 KB
1
19:56, 20 March 2012
N=50 once kandy last structure (BOAT).jpg
(
file
)
51 KB
1
19:56, 20 March 2012
N=50 once kandy first structure (BOAT).jpg
(
file
)
47 KB
1
19:51, 20 March 2012
N=50 Frozen always kandy both plots.JPG
(
file
)
144 KB
1
19:50, 20 March 2012
N=50 Frozen once kandy both plots.JPG
(
file
)
144 KB
1
19:50, 20 March 2012
N=50 frozen once kandy last structure.jpg
(
file
)
46 KB
1
19:49, 20 March 2012
N=50 frozen once kandy first structure.jpg
(
file
)
45 KB
1
19:42, 20 March 2012
N=100 Berny always kandy both plots.JPG
(
file
)
151 KB
1
19:42, 20 March 2012
N=100 Berny once kandy both plots.JPG
(
file
)
150 KB
1
19:41, 20 March 2012
N=100 Berny once kandy last structure.jpg
(
file
)
48 KB
1
19:40, 20 March 2012
N=100 Berny once kandy first structure.jpg
(
file
)
47 KB
1
19:32, 20 March 2012
N=50 Berny always kandy both plots.JPG
(
file
)
142 KB
1
19:30, 20 March 2012
N=50 Berny once kandy both plots.JPG
(
file
)
142 KB
1
19:26, 20 March 2012
N=50 Berny once kandy last structure.jpg
(
file
)
48 KB
1
19:26, 20 March 2012
N=50 Berny once kandy first structure.jpg
(
file
)
47 KB
1
18:34, 20 March 2012
Imaginary frequency of corrected Boat structure kandy.gif
(
file
)
540 KB
1
18:31, 20 March 2012
Correct Boat structure (QST2 method).jpg
(
file
)
65 KB
1
18:26, 20 March 2012
Failed boat structure kandy.jpg
(
file
)
69 KB
1
18:16, 20 March 2012
Imaginary frequency of real boat structure (frozen method).gif
(
file
)
490 KB
1
18:15, 20 March 2012
Real boat structure (frozen method).jpg
(
file
)
58 KB
1
18:13, 20 March 2012
Guessed boat structure (frozen method).jpg
(
file
)
61 KB
1
18:00, 20 March 2012
Imaginary frequency of optimised boat structure kandy.gif
(
file
)
529 KB
1
17:51, 20 March 2012
Optimised boat structure kandy.jpg
(
file
)
62 KB
1
17:07, 20 March 2012
Gauche conformer p interactions.bmp
(
file
)
241 KB
1
15:45, 20 March 2012
Exo-Endo Product.bmp
(
file
)
638 KB
2
15:19, 20 March 2012
DA reactants.bmp
(
file
)
334 KB
1
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