Mohaddeseh Panahi Tabar - Islamic Azad University, Broujerd Branch, Broujerd, Iran
Mohammad Aghamohammadi - Islamic Azad University, Broujerd Branch, Broujerd, Iran
Hamid Reza Shamlouei - Lorestan University, Khorramabad, Iran

Pyrene is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings,resulting in a flat aromatic system. The chemical formula is C16H10. This colorless solid is thesmallest peri-fused PAH (one where the rings are fused through more than one face). Pyreneforms during incomplete combustion of organic compounds [1]. Researchers at Kansas StateUniversity recently discovered a link between vitamin A deficiencyand emphysema in smokers [2]. It was shown that the relation between the pyrene and humancancer [3]. In this research the DFT method was employed to study the interaction of pyrenemolecule with Adenine-Thymine and Cytosine-Guanine dimers.