2006•Journal of Molecular Structure THEOCHEMRequires access

Estimation of the aqueous solubility (−lgSw) of all polychlorinated dibenzo-furans (PCDF) and polychlorinated dibenzo-p-dioxins (PCDD) congeners by density functional theory

Guoying Yang, Xingchuan Zhang, Zunyao Wang, Hongxia Liu, Xue‐Hai Ju

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Key concepts: Solvation, Chemistry, Polarizability, Polychlorinated dibenzofurans, Polychlorinated Dibenzo-p-dioxins, Solubility, Aqueous solution, Computational chemistry

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Estimation of the aqueous solubility (−lgSw) of all polychlorinated dibenzo-furans (PCDF) and polychlorinated dibenzo-p-dioxins (PCDD) congeners by density functional theory — Research Paper | ScholarLens