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Prenylated chalcones are a family of natural chalcones that have been reported to exhibit a high antioxidant activity. In this paper, the density functional calculations are carried out to study, systematically, the antiradical properties of four prenylated natural chalcones namely isobavachalcone (I), xanthohumol (II), desmethylxanthohumol (III) and broussochalcone (IV). The radical scavenging ability of all the possible CH and OH bonds of chalcones I-IV were discussed in detail thermodynamically and kinetically. The