Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p,p′-DDT

Computational Biology and Chemistry

Volumn 27, Issue 3, 2003, Pages 165-171

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

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b INSTITUTE OF EPIDEMIOLOGY   (Germany)

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

^d DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^e TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Chlorobenzenes; Octanol air partition coefficient (KOA); PCN; PLS; QSPR; Quantum chemical descriptors

Indexed keywords

ELECTRONS; HAMILTONIANS; LEAST SQUARES APPROXIMATIONS; MOLECULAR STRUCTURE;

MOLECULAR ORBITALS;

NAPHTHALENE;

ACACIA KOA;

EID: 0042562231     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(02)00017-7     Document Type: Article

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