Development of a model for predicting reaction rate constants of organic chemicals with ozone at different temperatures

Chemosphere

Volumn 92, Issue 8, 2013, Pages 1029-1034

  Li, Xuehua ^a   Zhao, Wenxing ^a   Li, Jing ^a   Jiang, Jingqiu ^a   Chen, Jianji ^a   Chen, Jingwen ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Ozone; Partial least squares (PLSs); Quantitative structure activity relationship; Reaction rate constant; Temperature dependence

Indexed keywords

AMINES; FORECASTING; HYDROCARBONS; INDUSTRIAL CHEMICALS; IONIZATION POTENTIAL; LEAST SQUARES APPROXIMATIONS; LINEAR REGRESSION; OZONE; QUANTUM CHEMISTRY; RATE CONSTANTS; REACTION RATES; TEMPERATURE DISTRIBUTION; VOLATILE ORGANIC COMPOUNDS;

EXPERIMENTAL DETERMINATION; OXYGEN-CONTAINING COMPOUNDS; PARTIAL LEAST SQUARES (PLSS); PARTIAL LEAST SQUARES REGRESSION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTUM CHEMICAL DESCRIPTORS; STEPWISE MULTIPLE LINEAR REGRESSION; TEMPERATURE DEPENDENCE;

ORGANIC CHEMICALS;

ORGANIC COMPOUND; OZONE;

ATMOSPHERIC CHEMISTRY; ATMOSPHERIC MODELING; NUMERICAL MODEL; OZONE; PREDICTION; REACTION RATE; TEMPERATURE GRADIENT; TROPOSPHERE; VOLATILE ORGANIC COMPOUND;

ARTICLE; CHEMICAL REACTION; IONIZATION; PARTIAL LEAST SQUARES REGRESSION; QUANTUM MECHANICS; TEMPERATURE SENSITIVITY;

EID: 84880043641     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2013.03.040     Document Type: Article

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