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Showing 1 to 1 of 1 for “"long-range force calculation"”.
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Slab-Geometry Molecular Dynamics Simulations: Development and Application to Calculation of Activity Coefficients, Interfacial Electrochemistry, and Ion Channel Transport
… molecules. The P3M method was preferred for long-range force calculation in the problems of interest and was used throughout.</p> <p>The osmotic molecular dynamics method (OMD) was applied to the prediction of liquid mixture activity coefficients for six binary systems: methanol/n-hexane, …