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- W2002613867 abstract "The distribution and subsequent concentration in specific compartments of the environment of organic pollutants is determined by the pollutants' physicochemical properties. Since the atmospheric, aqueous and biological compartments are of major concern from the public health standpoint, the vapor/water and water/nonpolar compartment properties are of interest. Currently, such properties are estimated from structure using additive structure—property models. Such models are of limited accuracy when properties for new and interesting compounds are needed. Computer simulation methods based on more fundamental principles provide better estimates and mechanistic information. Some of these methods are discussed here." @default.
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- W2002613867 date "1995-07-01" @default.
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- W2002613867 title "Computational methods for the estimation of solution properties of organic pollutants" @default.
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- W2002613867 doi "https://doi.org/10.1016/0169-7439(95)80074-j" @default.
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