Search Results - "Wierzchowski, Scott J"
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Trimer Based Polarization as a Multibody Molecular Model. Application to Hydrogen Fluoride
Published in Journal of the American Chemical Society (19-01-2005)“…A molecular modeling approach is introduced as a way to treat multibody (more than two molecules) contributions to the intermolecular potential. There are two…”
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Fugacity Coefficients of Saturated Water from Molecular Simulation
Published in The journal of physical chemistry. B (20-11-2003)“…We apply isothermal−isobaric Monte Carlo molecular simulation to measure the vapor-phase fugacity coefficients and equation of state of three fixed-charge…”
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Liquid-Phase Activity Coefficients for Saturated HF/H2O Mixtures with Vapor-Phase Nonidealities Described by Molecular Simulation
Published in Industrial & engineering chemistry research (07-01-2004)“…Isothermal−isobaric Monte Carlo molecular simulations are performed to estimate the vapor-phase fugacity coefficients of hydrogen fluoride and water in their…”
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