HQSAR and CoMFA approaches in predicting reactivity of halogenated compounds with hydroxyl radicals

Chemosphere

Volumn 52, Issue 10, 2003, Pages 1689-1699

  Vrtacnik M ^a   Voda, K ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

Aromatic compounds; CoMFA; HQSAR; Hydroxyl radicals; Reaction mechanism

Indexed keywords

AROMATIC COMPOUNDS; FREE RADICALS; MATHEMATICAL MODELS; OXIDATION; TOPOLOGY;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA);

HALOGEN COMPOUNDS;

AROMATIC COMPOUND; HALIDE; HYDROXYL RADICAL; 2,4 DICHLOROPHENOL; 2,4 DICHLOROPHENOXYACETIC ACID; 2,4-DICHLOROPHENOL; CHLOROBENZENE; CHLOROPHENOL; HALOGENATED HYDROCARBON; PENTACHLOROPHENOL;

ATMOSPHERIC CHEMISTRY; CHEMICAL REACTION; HALOGENATED HYDROCARBON; HYDROXYL RADICAL;

ARTICLE; ATMOSPHERE; CHEMICAL REACTION; COMPARATIVE MOLECULAR FIELD ANALYSIS; HALF LIFE TIME; HOLOGRAM QUANTITATIVE STRUCTURE ACTIVITY RELATION; INTERMETHOD COMPARISON; MATHEMATICAL MODEL; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RADICAL REACTION; CHEMISTRY; COMPUTER PROGRAM; EVALUATION; OXIDATION REDUCTION REACTION; PREDICTION AND FORECASTING; THREE DIMENSIONAL IMAGING;

2,4-DICHLOROPHENOXYACETIC ACID; ATMOSPHERE; CHLOROBENZENES; CHLOROPHENOLS; HALF-LIFE; HYDROCARBONS, HALOGENATED; HYDROXYL RADICAL; IMAGING, THREE-DIMENSIONAL; OXIDATION-REDUCTION; PENTACHLOROPHENOL; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 0642367328     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0045-6535(03)00354-0     Document Type: Article

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