Oligomers of C20H8 polyhedral molecule : a computer simulation

DFT-PBE/DZ calculations of oligomers of C20H8 polyhedral molecule (derivative of C20 fullerene) were carried out. From the results obtained it follows that quasi-one-dimensional, quasi-two-dimensional, and three-dimensional polymers with compositions [C20H8]n can exist. The geometric parameters of the repeating units of these polymers were estimated.