Theoretical studies on the carcinogenici
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K. Periya Vijayalakshmi; Cherumuttathu H. Suresh
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Article
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2008
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John Wiley and Sons
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English
β 450 KB
π 1 views
## Abstract The distinct molecular regions of a set of 28 polycyclic aromatic hydrocarbons (PAHs) showing varying degrees of carcinogenic activity (CA) have been analyzed on the basis of their calculated molecular electrostatic potential (MESP) at B3LYP/6β31+G(d,p) level of theory. The MESP, being