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• W1982510256 abstract "The cost saving truncation of intermolecular interactions in dilute ionic simulations is studied and compared with previous analytical theory. The results from three NPT Monte Carlo simulations of Cl− in water, each with a different ClO cutoff for the intermolecular potential, are presented. We demonstrate that the disturbance of the radial distribution functions predicted by previous site-site integral equations is not a simple artifact of the use of an atom-atom switch but occurs in molecule-based truncation schemes as well when one molecule is an ion." @default.
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• W1982510256 date "1988-09-01" @default.
• W1982510256 modified "2023-09-23" @default.
• W1982510256 title "Effects of truncating long-range interactions in aqueous ionic solution simulations" @default.
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• W1982510256 doi "https://doi.org/10.1016/0009-2614(88)80404-4" @default.
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