Complete Carcinogenic Potential of Polycyclic Fluoranthene Hydrocarbons in Relation to Their Center or Centers of Highest Electron Density

A study, of ten title compounds, was undertaken to investigate the possible use of quantum chemical DEWAR-PI molecular orbital calculations, which predict the preferred site or sites of electrophilic substitution, as a predictor of complete carcinogenic potential. These data were the basis for the d...

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Veröffentlicht in:	Polycyclic aromatic compounds 1995-07, Vol.5 (1-4), p.59-67
1. Verfasser:	Flesher, James W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Molecular modeling predicting carcinogenicity sites of electrophilic substitution
Online-Zugang:	Volltext
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