## 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/6‐31+G(d,p) level of theory. The MESP, being
✦ LIBER ✦
Theoretical study of new acceptor and donor molecules based on polycyclic aromatic hydrocarbons
✍ Scribed by S. Shahab Naghavi; Thomas Gruhn; Vajiheh Alijani; Gerhard H. Fecher; Claudia Felser; Katerina Medjanik; Dmytro Kutnyakhov; Sergej A. Nepijko; Gerd Schönhense; Ralph Rieger; Martin Baumgarten; Klaus Müllen
- Book ID
- 108185369
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 900 KB
- Volume
- 265
- Category
- Article
- ISSN
- 0022-2852
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