## 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
Theoretical Design of High-Spin Polycyclic Hydrocarbons
β Scribed by Georges Trinquier; Nicolas Suaud; Jean-Paul Malrieu
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 312 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0947-6539
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