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more..
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23
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17344363452
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note
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Version MM3(94) was used. The latest version of the MM3 program, which is referred to as MM3(96), is available to academic users from the Quantum Chemistry Program Exchange and to commercial users from Tripos Associates, 1699 South Hanley St., St. Louis, MO 63144.
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24
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33947336660
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Anet, F. A. L.; Bourn, A. J. J. Am. Chem. Soc. 1967, 89, 760. The authors reported the barrier as 10.3 and 10.22 kcal/mol in the abstract and Table 1 of the paper, respectively, and in ref 6a of our paper, footnote 6, the barrier is given as 10.1 kcal/mol. We use here an average of the three numbers.
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(1967)
J. Am. Chem. Soc.
, vol.89
, pp. 760
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Anet, F.A.L.1
Bourn, A.J.2
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25
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17344364570
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Department of Chemistry, University of Georgia, Athens, Georgia, private communication
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Schleyer, P. von R., Department of Chemistry, University of Georgia, Athens, Georgia, private communication.
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Schleyer, P.V.R.1
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