  The present work encompasses an investigation of the adsorption properties of
small dimer species onto a zigzag single walled carbon nanotube (ZNT for
short). To perform this analysis we have considered the zigzag (8, 0) system
with a length of 13.5 angstroms that has a diameter of 6.3 angstroms. Various
theoretical DFT and ab initio approaches were used to attempt to parameterize
an ideal method for the calculation of expulsion energies for nanotube species.
