Application and comparison of different chemometric approaches in QSPR modelling of supercooled liquid vapour pressures for chloronaphthalenes

SAR and QSAR in Environmental Research

Volumn 18, Issue 3-4, 2007, Pages 299-313

  Puzyn, T ^a   Falandysz, J ^a  

^a UNIVERSITY OF GDA SK   (Poland)

Author keywords

Chloronaphthalenes; PCNs; QSPR; Supercooled liquid vapour pressure

Indexed keywords

COMPUTATION THEORY; GENETIC ALGORITHMS; MEAN SQUARE ERROR; ORGANIC POLLUTANTS; SUPERCOOLING; X RAY DIFFRACTION;

B3LYP/6-311++G; CHEMOMETRIC APPROACH; CHLORONAPHTHALENES; DENSITY-FUNCTIONAL-THEORY; METHOD OF MODELING; MOLECULAR DESCRIPTORS; PCN; QSPR; SUBSTITUTION PATTERNS; SUPERCOOLED LIQUID VAPOR PRESSURE;

DENSITY FUNCTIONAL THEORY;

EID: 34249105808     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360701303875     Document Type: Article

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