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4
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0030750823
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5
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13044280130
-
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Br. Patent 852,981 1960
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Halleux, A. L., Br. Patent 852,981 1960.
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Halleux, A.L.1
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8
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0040171024
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10
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0011670014
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11
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0000621373
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-
13
-
-
13044306614
-
-
The MMX force field in PCMODEL Version 5.0 was employed
-
The MMX force field in PCMODEL Version 5.0 was employed.
-
-
-
-
15
-
-
0842341771
-
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902-3909.
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17
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84873055189
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John Wiley & Sons: New York
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18
-
-
13044310032
-
-
See the Experimental Section for a description of these methods
-
See the Experimental Section for a description of these methods.
-
-
-
-
19
-
-
13044270252
-
-
note
-
17 was used to determine the best fit of the experimental and calculated geometries and the deviations of the atomic positions: all of the non-hydrogen atoms were employed for the fitting.
-
-
-
-
21
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84877748749
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0030835862
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0013218040
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0030580303
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13044282337
-
-
note
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8.19
-
-
-
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31
-
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13044284055
-
-
note
-
3 conformation.
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32
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84988115618
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0345491105
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40
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84893169025
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Jensen, J.H.6
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Su, S.10
Windus, T.L.11
Elbert, S.T.12
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