A polarizable force field for the sulfate anion SO4(2–) has been developed and extended from nonpolarizable force fields in order to reproduce its structural and thermodynamics properties in aqueous solution. Two force fields with different atomic partial charges on S and O have been tested and used with molecular dynamics with explicit polarization. The results obtained with our developed force field are in good agreement with the experimental hydration properties of the sulfate anion.
View Article and Find Full Text PDFClassical molecular dynamics simulations with explicit polarization have been successfully used to determine the structural and thermodynamic properties of binary aqueous solutions of uranyl chloride (UO2Cl2). Concentrated aqueous solutions of uranyl chloride have been studied to determine the hydration properties and the ion-ion interactions. The bond distances and the coordination number of the hydrated uranyl are in good agreement with available experimental data.
View Article and Find Full Text PDFThe article addresses how Vietnamese immigrant women developed an urban employment niche in the beauty industry, in manicuring. They are shown to have done so by creating a market for professional nail care, through the transformation of nailwork into what might be called McNails, entailing inexpensive, walk-in, impersonal service, in stand-alone salons, nationwide, and by making manicures and pedicures de riguer across class and racial strata. Vietnamese are shown to have simultaneously gained access to institutional means to surmount professional manicure credentializing barriers, and to have developed formal and informal ethnic networks that fueled their growing monopolization of jobs in the sector, to the exclusion of non-Vietnamese.
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