Application of TLSER method in predicting the aqueous solubility and n-octanol/water partition coefficient of PCBs, PCDDs and PCDFs

Journal of Environmental Sciences

Volumn 16, Issue 1, 2004, Pages 21-29

  Huang, Jun ^a   Yu, Gang ^a   Zhang, Zu Lin ^a   Wang, Yi Lei ^a   Zhu, Wei Hua ^a   Wu, Guo Shi ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Persistent organic pollutants (POPs); Polychlorinated biphenyls (PCBs); Polychlorinated dibenzo p dioxins (PCDDs); Polychlorinated dibenzofurans (PCDFs); Quantitative structure property relationship (QSPR); Theoretical linear solvation energy relationship (TLSER)

Indexed keywords

ALCOHOLS; AROMATIC COMPOUNDS; ELECTRON ENERGY LEVELS; PARAMETER ESTIMATION; POLARIZATION; POLYCHLORINATED BIPHENYLS; QUANTUM THEORY; REGRESSION ANALYSIS; SOLUBILITY;

CROSS-VALIDATION TESTS; MOLECULAR ORBITALS;

ENVIRONMENTAL PROTECTION;

2,3,7,8 TETRACHLORODIBENZO PARA DIOXIN; BENZOFURAN DERIVATIVE; CHLORINATED DIBENZOFURANS; DRUG DERIVATIVE; OCTANOL; POLYCHLORINATED BIPHENYL; POLYCHLORODIBENZO 4 DIOXIN; POLYCHLORODIBENZO-4-DIOXIN; SOLVENT; WATER;

PCDD; PCDF; POLLUTANT REMOVAL; POLYCHLORINATED BIPHENYL; SOLUBILITY;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; FORECASTING; POLLUTANT; SOIL POLLUTANT; SOLUBILITY; STATISTICAL MODEL;

1-OCTANOL; BENZOFURANS; ENVIRONMENTAL POLLUTANTS; FORECASTING; LINEAR MODELS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; POLYCHLORINATED BIPHENYLS; SOIL POLLUTANTS; SOLUBILITY; SOLVENTS; TETRACHLORODIBENZODIOXIN; WATER;

EID: 0842344578     PISSN: 10010742     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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