The molecular volumes of dioxins,organic phosphorous compounds and n-alkanols were computed at the B3LYP/6-311G** level,and were then correlated with their toxicity.It was surprisingly found that there exists the so-c...
Project supported by the National Natural Science Foundation of China.
Dioxin is a general designation of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs). They are two series of tricyclic, almost planar, aromatic compounds, which are composed of 75...