The thermodynamic properties of 39 PBDEs have been calculated using Gaussian 03
on the B3LYP/6-31G(d)//B3LYP/6-31G(d) level. The PBDE congeners' enthalpies of
formation increase with increasing number of bromines and show a strong dependence on
the bromine substitution pattern. The effects of bromine substitution pattern have been
quantitatively studied by GAM...