Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated biphenyls

Chemosphere

Volumn 48, Issue 5, 2002, Pages 535-544

  Chen, Jingwen ^a,b,c   Xue, Xingya ^c,d   Schramm, Karl Werner ^c   Quan, Xie ^a   Yang, Fenglin ^a   Kettrup, Antonius ^a,e  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b State Key Laboratory of Freshwater Ecology and Biotechnology   (China)

^c INSTITUTE OF EPIDEMIOLOGY   (Germany)

^d DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^e TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Octanol air partition coefficient; PCB; PLS; QSPR; Quantum chemical descriptors

Indexed keywords

AIR; HAMILTONIANS; LEAST SQUARES APPROXIMATIONS;

ATOMIC CHARGE;

POLYCHLORINATED BIPHENYLS;

CARBON; CHLORINE; OCTANOL; POLYCHLORINATED BIPHENYL DERIVATIVE; POLYCHLORINATED BIPHENYL;

AEROSOL PROPERTY; DISPERSION; LEAST SQUARES METHOD; PARTITIONING; PCB;

AIR; ARTICLE; CHEMICAL STRUCTURE; ENERGY; PARTITION COEFFICIENT; PREDICTION; QUANTUM CHEMISTRY; CHEMICAL MODEL; CHEMISTRY; POLLUTANT; SOLUBILITY; STRUCTURE ACTIVITY RELATION; VOLATILIZATION;

ENVIRONMENTAL POLLUTANTS; MODELS, CHEMICAL; OCTANOLS; POLYCHLORINATED BIPHENYLS; SOLUBILITY; STRUCTURE-ACTIVITY RELATIONSHIP; VOLATILIZATION;

EID: 0036686939     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(02)00103-0     Document Type: Article

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