QSARs for oxidation of phenols in the aqueous environment, suitable for risk assessment

Journal of Chemometrics

Volumn 10, Issue 2, 1996, Pages 79-93

  Rorije, E ^a   Peijnenburg, W J G M ^a  

^a NATIONAL INSTITUTE FOR PUBLIC HEALTH AND THE ENVIRONMENT   (Netherlands)

Author keywords

Environmental oxidation reactions; MO calculations; Multivariate statistics; PLS; QSAR

Indexed keywords

CHROMATES; COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; MOLECULAR ORBITALS; OXIDANTS; OXIDATION; PHENOLS; POTASSIUM COMPOUNDS; RATE CONSTANTS; RISK ASSESSMENT;

AQUEOUS ENVIRONMENT; DESCRIPTORS; ENVIRONMENTAL OXIDATION REACTION; MO CALCULATIONS; MULTIVARIATE STATISTICS; OXIDATION OF PHENOL; OXIDATION REACTIONS; PLS; QSAR; QSAR MODEL;

ELECTRONIC PROPERTIES;

EID: 0013036453     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-128X(199603)10:2<79::AID-CEM406>3.0.CO;2-F     Document Type: Article

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