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McKee, M. L. Mechanisic Patterns in Carborane Reactions as Revealed by ab Initio Calculations. In The Borane. Carborane and Carbocation Continuum; Casanova, J., Ed.; Wiley: New York, 1998; pp 259-288.
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Hofmann, M.; Fox, M. A.; Greatrex, R.; Williams, R. E.; Schleyer, P. v. R. J. Organomet. Chem. 1998, 550, 331.
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34247105665
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The brackets are used in the reaction sequence to indicate that the transition state TS13/14 is lower in energy than the intermediate 14, which suggests that the actual reaction is 13→TS14/ 15→15.
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The brackets are used in the reaction sequence to indicate that the transition state TS13/14 is lower in energy than the intermediate 14, which suggests that the actual reaction is 13→TS14/ 15→15.
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35
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34247143989
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2 group pivot which had a free energy lower by 0.6 kcal/mol.
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2 group pivot which had a free energy lower by 0.6 kcal/mol.
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