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HOMO energies for indole and 8a are - 124.5 kcal/mol and -114.1 kcal/mol, respectively (calculated using Spartan with the B3LYP/6-31G* method).
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HOMO energies for indole and 8a are - 124.5 kcal/mol and -114.1 kcal/mol, respectively (calculated using Spartan with the B3LYP/6-31G* method).
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HOMO energies for 8a, 8b, and 8c are -114.1, -113.2, and -113.9 kcal/mol, respectively (to simplify the calculation, the free base forms were used, using Spartan with the B3LYP/6-31G* method).
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HOMO energies for 8a, 8b, and 8c are -114.1, -113.2, and -113.9 kcal/mol, respectively (to simplify the calculation, the free base forms were used, using Spartan with the B3LYP/6-31G* method).
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CCDC 748786 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from.
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CCDC 748786 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from. The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cif.
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