MSc thesis discussed in Applied Science Department at UOT entitled:

"Graphene and nanotubes and their electronic properties to explain the mechanism of chemical reactions, theoretical study"

Theses of the student, Asaad Ali Latif, majoring in applied chemistry, included the selection of a group of aromatic compounds:-

(Biphenyl, Benzene, Naphthalene, Anthracene, Tetracene, Pentacene

Perylene, Coronene, Phenanthrene, Pyrene, Triphenylene and Benz]a[anthracene)

      To design graphene based on quantum mechanics calculations using density function theory (DFT), relying on the cyclic polymerization mechanism. Theoretical calculations for all the compounds found were performed using Gaussian 09, of 2013, and Combine the Beeck exchange function (B3) and Lee-Yang-Parr (LYP) as the correlation function (B3LYP) and the base group (6-31G) to find the optimal stable molecular shape and find the highest electron-occupied orbital energy (HOMO) and the intermolecular orbital energy The occupied electrons (LUMO) and the base group (3-21G) to calculate the thermodynamic functions.