Estimation of n-octanol/water partition coefficients (lgKow) and the aqueous solubility (-lgSw) of all PCDF congeners by density functional theory

Jiegou Huaxue

Volumn 25, Issue 9, 2006, Pages 1134-1140

  Yang, Guo Ying ^a   Yu, Jing ^a   Wang, Zun Yao ^a,c   Liu, Hong Xia ^b  

^a JIAXING UNIVERSITY   (China)

^b GUILIN INSTITUTE OF TECHNOLOGY   (China)

^c NANJING UNIVERSITY   (China)

Author keywords

Aqueous solubility ( lgSw); Density functional theory (DFT); N octanol water partition coefficients (lgKow); Polychlorinated dibenzofurans (PCDFs); Quantitative structure property relationship (QSPR)

Indexed keywords

EID: 33749350773     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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