Predicting water solubility of congeners: Chloronaphthalenes-A case study

Journal of Hazardous Materials

Volumn 170, Issue 2-3, 2009, Pages 1014-1022

  Puzyn, Tomasz ^a   Mostrag, Aleksandra ^a   Falandysz, Jerzy ^a   Kholod, Yana ^b   Leszczynski, Jerzy ^b  

^a UNIVERSITY OF GDA SK   (Poland)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

Chloronaphthalenes; COSMO RS; DFT; QSPR; WSKOWIN

Indexed keywords

CHLORONAPHTHALENES; COSMO-RS; DFT; QSPR; WSKOWIN;

CHLORINE; PROBABILITY DENSITY FUNCTION; RAPID SOLIDIFICATION; RESEARCH; SOLUBILITY; SULFUR COMPOUNDS; TERNARY SYSTEMS;

ORGANIC POLLUTANTS;

BIPHENYL DERIVATIVE; CHLORINE; FURAN DERIVATIVE; POLYCHLORINATED DIBENZODIOXIN; POLYCHLORINATED NAPHTHALENE; SOLVENT;

CAVITATION; CHLORINATED HYDROCARBON; LEAST SQUARES METHOD; MODELING; MOLECULAR ANALYSIS; MULTIPLE REGRESSION; PHYSICOCHEMICAL PROPERTY; QUANTITATIVE ANALYSIS; SOLUBILITY; WATER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; COMPUTER PREDICTION; CONTROLLED STUDY; DATA BASE; DENSITY FUNCTIONAL THEORY; HYDROPHILICITY; MULTIPLE LINEAR REGRESSION ANALYSIS; ORGANIC POLLUTION; PARTIAL LEAST SQUARES REGRESSION; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE PROPERTY RELATION;

ALGORITHMS; CHLORINE; DATABASES, FACTUAL; FORECASTING; MODELS, CHEMICAL; MODELS, STATISTICAL; NAPHTHALENES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; SOLUBILITY; WATER;

EID: 69049105286     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.05.079     Document Type: Article

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