QSAR models for oxidation of organic micropollutants in water based on ozone and hydroxyl radical rate constants and their chemical classification

Water Research

Volumn 47, Issue 3, 2013, Pages 1111-1122

  Sudhakaran, Sairam ^a   Amy, Gary L ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

Author keywords

Quantitative Structure Activity Relationship; Rate constants; Validation

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; ELECTRON AFFINITY; ELECTRONEGATIVITY; FREE RADICALS; MOLECULAR GRAPHICS; MULTIPLE LINEAR REGRESSION; OXIDATION; OZONE; OZONIZATION;

ADVANCED OXIDATION PROCESSES; DESCRIPTORS; HYDROXYL RADICALS; ORGANIC MICROPOLLUTANTS; OXIDATION OF ORGANICS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; RATE CONSTANT K; VALIDATION; WATER BASED;

RATE CONSTANTS;

HYDROXYL RADICAL; ORGANIC COMPOUND; OXYGEN; OZONE;

HYDROXYL RADICAL; ORGANIC POLLUTANT; OXIDATION; OZONE; QUANTITATIVE ANALYSIS; REACTION KINETICS; REGRESSION ANALYSIS;

ADVANCED OXIDATION PROCESS; ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; CHEMICAL BOND; CONTROLLED STUDY; DOUBLE BOND EQUIVALENCE; ELECTRON; ELECTRON AFFINITY; EQUILIBRIUM CONSTANT; EXTERNAL VALIDITY; INTERNAL VALIDITY; IONIZATION; IONIZATION POTENTIAL; MULTIPLE LINEAR REGRESSION ANALYSIS; ORGANIC MICROPOLLUTANT; OXIDATION; OZONATION; POLARIZATION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY; WASTE WATER MANAGEMENT; WATER POLLUTANT; WEAKLY POLAR COMPONENT OF SOLVENT ACCESSIBLE SURFACE AREA;

EID: 84872679232     PISSN: 00431354     EISSN: 18792448     Source Type: Journal    
DOI: 10.1016/j.watres.2012.11.033     Document Type: Article

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