quantum chemical calculations, based on density functional theory (dft) method, were performed on calix[4]arene and polychlorinated dibenzo-p-dioxins (pcdds) in gas and liquid phases for comparison purposes. the simulation results show the 1,2,3,4, 6,7,8,9-octachlorodibenzo-p-dioxin (ocdd) is quite a reactive dioxin. this paper attempts to examine the possibility of dioxin adsorption by calix[n...