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This special page shows all uploaded files.
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Date
Name
Thumbnail
Size
Description
Versions
13:18, 7 December 2012
D&A maleic anhydride ahl10 OPT.chk
(
file
)
1.25 MB
1
13:14, 7 December 2012
D&A cyclohexadiene ahl10 OPT.chk
(
file
)
1.45 MB
1
11:59, 7 December 2012
D&A endo TS ahl10 animation.gif
(
file
)
640 KB
1
11:59, 7 December 2012
-ve frequency EXO TS D&A ahl10.gif
(
file
)
610 KB
1
10:52, 7 December 2012
Bond lengths endo exo ahl10.png
(
file
)
21 KB
1
19:13, 6 December 2012
Butadiene ethylene TS ahl10 total energy.PNG
(
file
)
23 KB
1
18:39, 6 December 2012
D&A IRC EXO AHL10 HPC.log
(
file
)
1.15 MB
1
18:39, 6 December 2012
D&A IRC ENDO AHL10 HPC.log
(
file
)
1.22 MB
1
18:16, 6 December 2012
Boat IRC for & back ahl10 6-31G HPC.log
(
file
)
935 KB
1
18:12, 6 December 2012
Boat IRC for & back 6-31G ahl10 T 0K.log
(
file
)
935 KB
1
18:12, 6 December 2012
Chiar IRC 6-31G ahl10 HPC.log
(
file
)
896 KB
1
18:12, 6 December 2012
Chair IRC 6-31G ahl10 HPC T 0K.log
(
file
)
896 KB
1
18:12, 6 December 2012
Chair IRC forward & backward ahl10 HPC.log
(
file
)
871 KB
1
18:12, 6 December 2012
Chair IRC for & back ahl10 T 0K HPC.log
(
file
)
872 KB
1
18:12, 6 December 2012
Boat IRC forward & backward ahl10 HPC.log
(
file
)
891 KB
1
18:12, 6 December 2012
Boat IRC for & back ahl10 T 0K HPC.log
(
file
)
891 KB
1
18:06, 6 December 2012
D&A exo IRC ahl10 total energy.PNG
(
file
)
23 KB
1
18:06, 6 December 2012
D&A exo ahl10 IRC.gif
(
file
)
716 KB
1
18:06, 6 December 2012
D&A IRC ENDO AHL10 TOTAL ENERGY.PNG
(
file
)
24 KB
1
18:05, 6 December 2012
D&A endo IRC ahl10 animation.gif
(
file
)
1,003 KB
1
17:07, 6 December 2012
Chair IRC for & back ahl10 6-31G total energy.gif
(
file
)
744 KB
1
17:07, 6 December 2012
Chair IRC 6-31G ahl10 total energy.PNG
(
file
)
27 KB
1
17:01, 6 December 2012
Boat IRC ahl10 animation.gif
(
file
)
797 KB
2
16:52, 6 December 2012
Boat IRC for & back ahl10 6-31G total energy.PNG
(
file
)
27 KB
1
16:42, 6 December 2012
Exo Endo HOMO & LUMO ahl10.png
(
file
)
230 KB
1
16:04, 6 December 2012
FMO butadieneðylene ahl10 1.png
(
file
)
37 KB
1
14:47, 6 December 2012
Butadiene ethylene TS ahl10 animation.gif
(
file
)
784 KB
1
13:28, 6 December 2012
Butaiene ethylene IRC ahl10 animation.gif
(
file
)
1.01 MB
1
13:26, 6 December 2012
FMO butadieneðylene ahl10.png
(
file
)
38 KB
1
12:55, 6 December 2012
Mechanism butadieneðylene ahl10.png
(
file
)
7 KB
1
10:48, 5 December 2012
Diels alder mechanism ahl10.png
(
file
)
26 KB
1
21:19, 4 December 2012
Chair and Boat transition structures.png
(
file
)
15 KB
1
20:58, 4 December 2012
Boat ts ahl10.PNG
(
file
)
34 KB
1
20:56, 4 December 2012
CHAIR TS(BERNY) OPT+FREQ AHL10.LOG
(
file
)
477 KB
1
20:56, 4 December 2012
CHAIR 6-31G AHL10 OPT NO FROZEN.LOG
(
file
)
193 KB
1
20:54, 4 December 2012
Boat ts ahl10 -839cm-1.gif
(
file
)
762 KB
1
20:38, 4 December 2012
BOAT TS1QST2 AHL10 OPT+FREQ.LOG
(
file
)
418 KB
1
16:37, 4 December 2012
Chair TS(berny) ahl10 818cm-1.gif
(
file
)
797 KB
1
15:32, 4 December 2012
Anti 1 2 gauche 3 confromers.png
(
file
)
12 KB
1
14:57, 4 December 2012
Boat ts fail ahl10 reactants.PNG
(
file
)
70 KB
1
14:57, 4 December 2012
Boat ts ahl10 reactants product.PNG
(
file
)
124 KB
1
14:57, 4 December 2012
Boat fail ts ahl10.PNG
(
file
)
36 KB
1
14:03, 4 December 2012
Chair frozen coord OPT ahl10.PNG
(
file
)
33 KB
1
17:10, 3 December 2012
Butadieneðylene HOMO LUMO ahl10.png
(
file
)
98 KB
1
15:57, 3 December 2012
HOMO & LUMO cis-butadiene ahl10.png
(
file
)
67 KB
1
15:56, 3 December 2012
Mechanism cope rearrangment ahl10.png
(
file
)
9 KB
2
22:03, 2 December 2012
Chair and boat TS ahl10.png
(
file
)
18 KB
1
22:03, 2 December 2012
App and gauche newman projection ahl10.png
(
file
)
12 KB
1
16:36, 29 November 2012
ANTI2 AHL10 6-31G.LOG
(
file
)
142 KB
1
16:36, 29 November 2012
ANTI1 AHL10 6-31G.LOG
(
file
)
140 KB
1
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_ahl10_818cm-1.gif)
