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Comparison of the pK1/2 values calculated in this work with the experimental values.

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Figshare2015-12-02 更新2026-04-29 收录
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a)Calculation performed with the set of conformers when all titratable groups are charged (allC, Table 1).b)Calculation performed with weighted contribution of all sets.c)Experimental data taken from Matousek et al. [29].

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2015-12-02
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