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78049286190
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st∼9 kcal/mol.
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73
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78049320713
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p's facilitates comparison between the energies of equilibrium structures (free-bases, monocations, and dications) and the energies of hypothetical non-equilibrium structures (fb-mc and mc-dc in Figure 6), for which thermochemical data could not be obtained and Gibbs free energies could not be calculated.
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p's facilitates comparison between the energies of equilibrium structures (free-bases, monocations, and dications) and the energies of hypothetical non-equilibrium structures (fb-mc and mc-dc in Figure 6), for which thermochemical data could not be obtained and Gibbs free energies could not be calculated.
-
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74
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78049300377
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-1. (17) The discrepancy is probably due to the difference in the model chemistries used in these two calculations.
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-
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75
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0000474420
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Zerner, M.C.1
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