Ultraviolet absorption characteristics and calculated semi-empirical parameters as chemical descriptors in multivariate modelling of polychlorinated biphenyls

Journal of Chemometrics

Volumn 10, Issue 2, 1996, Pages 171-185

  Andersson, P ^a   Haglund, P ^a   Rappe, C ^a   Tysklind, M ^a  

^a UMEÅ UNIVERSITY   (Sweden)

Author keywords

AM1 calculations; Multivariate modelling; PCA; PCBs; QSARs; UV

Indexed keywords

COMPUTATIONAL CHEMISTRY; IONIZATION POTENTIAL; LIGHT ABSORPTION; ORGANIC POLLUTANTS; POLYCHLORINATED BIPHENYLS; ULTRAVIOLET SPECTROSCOPY;

ABSORPTION CHARACTERISTICS; AM1 CALCULATIONS; CHEMICAL DESCRIPTORS; INTERNAL ROTATIONS; MULTIVARIATE MODELING; PRINCIPAL-COMPONENT ANALYSIS; QSAR; SEMI-EMPIRICAL PARAMETERS; ULTRAVIOLET; ULTRAVIOLET ABSORPTION;

PRINCIPAL COMPONENT ANALYSIS;

EID: 0000520824     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-128X(199603)10:2<171::AID-CEM416>3.0.CO;2-U     Document Type: Article

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