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Name
Thumbnail
Size
Description
Versions
12:38, 12 March 2011
Carbon numbering.bmp
(
file
)
79 KB
1
13:38, 11 March 2011
MULLIKIN CHARGE PL1208 NITROGEN.JPG
(
file
)
23 KB
1
13:38, 11 March 2011
NBO NITROGEN PL1208.JPG
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file
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16 KB
1
13:38, 11 March 2011
MULLIKIN CHARGE PL1208 BORON.JPG
(
file
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25 KB
1
13:38, 11 March 2011
NBO BORON PL1208.JPG
(
file
)
25 KB
1
13:37, 11 March 2011
MO PL1208 NITROGEN.LOG
(
file
)
526 KB
1
13:36, 11 March 2011
MO PL1208 BORON.LOG
(
file
)
526 KB
1
13:34, 11 March 2011
MULLIKIN CHARGE PL1208 BENZENE.JPG
(
file
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24 KB
1
13:33, 11 March 2011
MO ANALYSIS PL1208 BENZNEN.LOG
(
file
)
94 KB
1
13:32, 11 March 2011
NBO BENZENE PL1208.JPG
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file
)
24 KB
1
01:30, 11 March 2011
Gradient 6-31 pyrinidine pl1208.JPG
(
file
)
84 KB
1
01:29, 11 March 2011
Summary 6-31 pyrinidine pl1208.JPG
(
file
)
26 KB
1
01:28, 11 March 2011
Gradient 3-21 pyrinidine pl1208.JPG
(
file
)
105 KB
1
01:27, 11 March 2011
Summary 3-21 pyrinidine pl1208.JPG
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file
)
25 KB
1
01:24, 11 March 2011
6-31gdp pyridinium pl1208.LOG
(
file
)
86 KB
1
01:22, 11 March 2011
Pl1208 Pyridinium 3-21gopt.LOG
(
file
)
83 KB
1
00:59, 11 March 2011
Gradient pl1208 3-21g boron.JPG
(
file
)
96 KB
1
00:59, 11 March 2011
Gradient pl1208 6-31g boron.JPG
(
file
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122 KB
1
00:58, 11 March 2011
Summary boron 6-31 pl1208.JPG
(
file
)
27 KB
1
00:58, 11 March 2011
Summary boron 3-21 pl1208.JPG
(
file
)
26 KB
1
00:54, 11 March 2011
6-31gdp boratabenzene pl1208.LOG
(
file
)
73 KB
1
00:53, 11 March 2011
1ST OPT pl1208 borata.LOG
(
file
)
96 KB
1
00:43, 11 March 2011
Gradient pl1208 6-31g benzene.JPG
(
file
)
91 KB
1
00:42, 11 March 2011
Gradient pl1208 3-21g benzene.JPG
(
file
)
87 KB
1
00:36, 11 March 2011
Summary pl1208 3-21g benzene.JPG
(
file
)
26 KB
1
00:34, 11 March 2011
Summary pl1208 benzene 6-316dp.JPG
(
file
)
27 KB
1
00:31, 11 March 2011
6-31gdp pl1208 benzne.LOG
(
file
)
60 KB
1
00:30, 11 March 2011
3-21g benzene pl1208.LOG
(
file
)
57 KB
1
00:19, 11 March 2011
6-31 Opt benzene pl1208.LOG
(
file
)
60 KB
1
21:21, 10 March 2011
Plane symmetrymp 2 pl1208.bmp
(
file
)
361 KB
1
20:30, 10 March 2011
Plane symmetry mp pl1208.bmp
(
file
)
167 KB
1
19:40, 10 March 2011
Summary MP pl1208.bmp
(
file
)
328 KB
1
16:44, 8 March 2011
Pl1208transIR.OUT
(
file
)
91 KB
1
16:02, 8 March 2011
Point group pl1208Trans.JPG
(
file
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55 KB
1
15:58, 8 March 2011
Essential data pl1208trans isomer.JPG
(
file
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45 KB
1
15:54, 8 March 2011
Summarised energy pl1208transiosmer.JPG
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file
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25 KB
1
15:52, 8 March 2011
Log 39924 nithya'sbfvibrationaltrans.out
(
file
)
94 KB
1
15:37, 8 March 2011
Ir spectra Annotated pl1208 cisvibanaly.jpg
(
file
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254 KB
1
14:14, 8 March 2011
Point group vibrfreq cis.JPG
(
file
)
26 KB
1
14:08, 8 March 2011
Essential data vibfreq cis.JPG
(
file
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44 KB
1
13:56, 8 March 2011
Energy summary pl1208 cis vibfreq.JPG
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file
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26 KB
1
20:56, 7 March 2011
Literature Ir Spectra.JPG
(
file
)
77 KB
1
16:30, 7 March 2011
Log 39927 pl1208.out
(
file
)
94 KB
1
16:25, 7 March 2011
Trans vibanaly pl1208 2ndopt.out
(
file
)
94 KB
1
16:18, 7 March 2011
Cisvibrational PL1208.out
(
file
)
94 KB
1
15:02, 7 March 2011
Rms gradient cis pl1208 2opt.JPG
(
file
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138 KB
1
15:00, 7 March 2011
Rms gradient trans pl1208.JPG
(
file
)
138 KB
1
14:19, 7 March 2011
Post 2nd optimisationpl1208trans.mol
(
file
)
2 KB
1
14:18, 7 March 2011
Post 2nd optimisationpl1208trans.JPG
(
file
)
18 KB
1
14:18, 7 March 2011
Summary pl1208 2ndopt transpl1208.JPG
(
file
)
27 KB
1
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