4.5 Article

A critique of some recent suggestions to correct the Kirkwood-Buff integrals

Journal

JOURNAL OF PHYSICAL CHEMISTRY B
Volume 111, Issue 11, Pages 2896-2902

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp0625356

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This article is a thorough critique of some recent publications by Matteoli, Lepori, Ruckenstein and others who suggested a correction to the Kirkwood-Buff integrals to obtain better information on the molecular interactions. It is shown that the suggested corrected Kirkwood-Buff integrals are, in fact, less informative than the original integrals. A detailed and critical examination of the arguments that led to the suggested correction reveals some serious flaws. Therefore, it is argued that the corrected Kirkwood-Buff integrals should be recorrected to restore their original definition and meaning.

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