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The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions

Allen, Toby; Kuyucak, Serdar; Chung, Shin-Ho

Description

Molecular dynamics simulations are carried out to determine the effects of channel wall structure on water and ion properties. We compare hydrophobic (Lennard-Jones 5-3 and atomic) and molecular-hydrophilic cylindrical pores of 2-6 Å in effective radius,

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
URI: http://hdl.handle.net/1885/91797
Source: Journal of Chemical Physics

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