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Calculations on ionic solvation—V The calculation of partition coefficients of ions

✍ Scribed by Michael H. Abraham; János Liszi

Book ID: 115976667
Publisher: Elsevier Science
Year: 1981
Weight: 564 KB
Volume: 43
Category: Article
ISSN: 0022-1902
DOI: 10.1016/0022-1902(81)80451-4

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## Abstract A new method is presented for the calculation of partition coefficients of solutes in water lipid systems. Log __P__ values are calculated based on the charge densities of the atoms as determined by quantum mechanical methods. In this article, the results have been obtained from charge