QSPR modeling of n-octanol/air partition coefficients and liquid vapor pressures of polychlorinated dibenzo-p-dioxins

Chemosphere

Volumn 91, Issue 2, 2013, Pages 229-232

  Zeng, Xiao Lan ^a   Zhang, Xiu Lan ^a   Wang, Yan ^a  

^a XINYANG NORMAL UNIVERSITY   (China)

Author keywords

DFT method; Polychlorinated dibenzo p dioxins (PCDDs); Quantitative structure property relationship (QSPR)

Indexed keywords

HYDROSTATIC PRESSURE;

DFT METHOD; LEAVE-ONE-OUT CROSS VALIDATIONS; LIQUID VAPOR PRESSURE; MOLECULAR GEOMETRIES; POLYCHLORINATED DIBENZO P DIOXIN (PCDDS); POLYCHLORINATED DIBENZO- P - DIOXINS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; STRUCTURAL PARAMETER;

ORGANIC POLLUTANTS;

OCTANOL; POLYCHLORINATED DIBENZODIOXIN;

GEOMETRY; PARTITION COEFFICIENT; PBDE; QUANTITATIVE ANALYSIS; VAPOR PRESSURE;

AIR; ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; PARTITION COEFFICIENT; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE PROPERTY RELATION; REFERENCE VALUE; THEORETICAL MODEL; VALIDITY; VAPOR PRESSURE;

ACACIA KOA;

EID: 84874270251     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2012.12.060     Document Type: Article

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