theoretical study of defection position effect on the aromaticity of n and b doped graphenes

Investigation of nics(1)zz indices of constituting rings of considered molecules indicates that the most variation in aromaticity via defection takes place in the partly aromatic rings, 5 and 6. the other rings around the defection position (rings 10, 2 and 3) in different molecules suffer minor aromaticity variation. in addition, defection in position d is accompanied with the minimum alteration in aromaticity of rings. the notable conformity of bond lengths r1-r6 in molecules g, nd and bd supports this statement.