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Figure 3 | Chemistry Central Journal

Figure 3

From: Binding selectivity of dibenzo-18-crown-6 for alkali metal cations in aqueous solution: A density functional theory study using a continuum solvation model

Figure 3

(a) The BDFE of M+-DB18C6 in aqueous solution, Δ  G  BD (  aq  ), (b) the sum of the BDFE in the gas phase and the hydration free energy of the metal cation, Δ  G  BD (  g  ) + Δ  G  s (M+), and (c) the hydration free energy of M+-DB18C6, Δ  G  s (M+CE).

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BMC Chemistry

ISSN: 2661-801X

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