Degradation mechanism study of organic pollutants in ozonation process by QSAR analysis

Chemical Engineering Journal

Volumn 255, Issue , 2014, Pages 431-436

  Zhu, Huicen ^a   Shen, Zhemin ^a   Tang, Qingli ^a   Ji, Wenchao ^a   Jia, Lijuan ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Degradation mechanism; Fukui indices; Organic pollutants; Ozonation process; QSAR; Quantum chemistry

Indexed keywords

AZO DYES; CHAINS; DEGRADATION; MOLECULAR GRAPHICS; ORGANIC COMPOUNDS; ORGANIC POLLUTANTS; OZONE; OZONIZATION; QUANTUM CHEMISTRY;

DEGRADATION MECHANISM; FUKUI INDICES; HIGHEST OCCUPIED MOLECULAR ORBITAL; OZONATION PROCESS; QSAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; QUANTUM CHEMICAL PARAMETERS; REGRESSION COEFFICIENT;

COMPUTATIONAL CHEMISTRY;

EID: 84904108370     PISSN: 13858947     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cej.2014.05.073     Document Type: Article

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