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. 1977 Oct;74(10):4144-5.
doi: 10.1073/pnas.74.10.4144.

Use of solvent cavity area and number of packed solvent molecules around a solute in regard to hydrocarbon solubilities and hydrophobic interactions

R B Hermann  1
Affiliations

Use of solvent cavity area and number of packed solvent molecules around a solute in regard to hydrocarbon solubilities and hydrophobic interactions

R B Hermann. Proc Natl Acad Sci U S A. 1977 Oct.

Abstract

Two currently used methods of calculating the area of contact between a solute molecule and the solvent are examined and some important differences are pointed out. Some pitfalls and uncertainties in the application of the concept of molecular surface area to the quantitative estimation of unitary free energies of solution are discussed.

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References

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