topological relationship between electric quadrupole, hexadecapole moments, energy and padmakar–ivan index in armchair polyhex nanotubes tuvc6[2p,q]

the electric quadrupole, hexadecapole moments, energy (kjmol -1) for some armchair polyhex carbon nanotubes tuvc6[2p,q] are performed by beck-lee-yang-parr [b3lyp] on 3-21g basis set using the standard procedure indices gaussian 98, then the padmakar-ivan (pi) index of tuvc6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the padmakar-ivan index of tuvc6[2p,q] nanotubes with the above mentioned molecular properties is studied.