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14:16, 7 March 2011
Post2nd optimised cis isomerpl1208.mol
(
file
)
1 KB
1
14:15, 7 March 2011
Post 2nd optimisation diagram pl1208cis.JPG
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file
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19 KB
1
14:14, 7 March 2011
Summary pl1208 2ndopt cis.JPG
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file
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26 KB
1
14:05, 7 March 2011
Post 2nd optimisation log filepl1208trans.out
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file
)
214 KB
1
14:03, 7 March 2011
Post2nd optimisation log file pl1208cis.out
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file
)
350 KB
1
01:33, 7 March 2011
Rearranged isomer pl1208 trans.mol
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file
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2 KB
1
01:32, 7 March 2011
Rearranged isomer pl1208 trans.JPG
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file
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18 KB
1
01:32, 7 March 2011
Realigned transisomer pl1208.bmp
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file
)
80 KB
1
01:17, 7 March 2011
Rearranged cis isomer.mol
(
file
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2 KB
1
01:15, 7 March 2011
Rearranged cis isomer.JPG
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file
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20 KB
1
01:12, 7 March 2011
Rearranged cis isomer.bmp
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file
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186 KB
1
00:48, 7 March 2011
Rms gradient pl1208 transopt01.JPG
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file
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155 KB
1
00:47, 7 March 2011
Rms gradient pl1208 cisopt01.JPG
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file
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155 KB
1
00:01, 7 March 2011
Pl1208 transisomer01opt.mol
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file
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1 KB
1
23:28, 6 March 2011
Post first optimisatin diagram pl1208.JPG
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file
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19 KB
1
23:21, 6 March 2011
Post first optimisation pl1208 01optcis.mol
(
file
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1 KB
1
23:20, 6 March 2011
Post first optimisation pl1208 01optcis.JPG
(
file
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17 KB
1
23:14, 6 March 2011
Summary pl1208 trans 01opt.JPG
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file
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19 KB
1
23:11, 6 March 2011
Summary pl1208 cis 01opt.JPG
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file
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25 KB
1
22:53, 6 March 2011
Post first optimsation log file pl1208.out
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file
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190 KB
1
22:51, 6 March 2011
Post first optimisation log file.out
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file
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238 KB
1
22:39, 6 March 2011
Doubel minima.JPG
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file
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6 KB
1
21:45, 6 March 2011
Approximations pl1208.bmp
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file
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383 KB
1
21:27, 6 March 2011
STERICALLY HINDERING.bmp
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file
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276 KB
1
17:58, 5 March 2011
Pl1208 Vibrations TIBR3.out
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file
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120 KB
1
17:56, 5 March 2011
IR spectra tibr3 pl1208.JPG
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file
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96 KB
1
17:52, 5 March 2011
Point group pl1208 tibr3.bmp
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file
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558 KB
1
17:39, 5 March 2011
Essential data vibfreq2 pl1208 tibr3.JPG
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file
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65 KB
1
17:32, 5 March 2011
Essential data vibfreq pl1208 tibr3.bmp
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file
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259 KB
1
17:29, 5 March 2011
Optimisation summary vibfreq pl1208.bmp
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file
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250 KB
1
17:22, 5 March 2011
Tibr3 Freq vibr PL1208.out
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file
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120 KB
1
16:49, 5 March 2011
Optimisation step3 pl1208 tibr3.JPG
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file
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14 KB
1
16:49, 5 March 2011
Optimisation step2 pl1208 tibr3.JPG
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file
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14 KB
1
16:48, 5 March 2011
Optimisation step1 pl1208 tibr3.JPG
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file
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14 KB
1
16:47, 5 March 2011
Energy graph pl1208 tibr3.JPG
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file
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156 KB
1
16:37, 5 March 2011
Post optimisation pl1208 tibr3.mol
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file
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443 bytes
1
16:33, 5 March 2011
Essential data pl1208 tibr3.bmp
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file
)
878 KB
1
16:15, 5 March 2011
Pre optimisation tibr3 pl1208.mol
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file
)
425 bytes
1
16:03, 5 March 2011
Optimisation summary pl1208 tibr3.JPG
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file
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26 KB
1
16:02, 5 March 2011
TIBR3 LOG FILE pl1208.out
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file
)
43 KB
1
13:09, 5 March 2011
PRATHAP BH3 FREQ vibrational table.LOG
(
file
)
45 KB
1
13:06, 5 March 2011
PrTHAP bh3 freq.out
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file
)
45 KB
1
13:05, 5 March 2011
Vibrational Analysis.fchk
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file
)
19 KB
1
12:57, 5 March 2011
Ir spectrum pl1208.JPG
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file
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81 KB
1
11:55, 5 March 2011
Character table pl1208.JPG
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file
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34 KB
1
11:52, 5 March 2011
Point group PL1208.bmp
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file
)
558 KB
1
10:51, 5 March 2011
Essential Data pl1208.JPG
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file
)
74 KB
1
10:38, 5 March 2011
Energy comparison 2 pl1208.bmp
(
file
)
286 KB
1
10:36, 5 March 2011
Energy comparison pl1208.bmp
(
file
)
289 KB
1
10:16, 5 March 2011
PRATHAP BH3 FREQ.LOG
(
file
)
45 KB
1
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