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运用量子化学方法讨论了一维四聚水簇的各种不同构成形式的稳定性 ,并计算了有机污染物卤代甲烷在一维四聚体水簇不同位置上的相对分布值 .计算结果表明 ,有机污染物在水体边界的相对分布值高于水体介质内部的相对分布值 .
Quantum chemistry method was used to discuss the stability of various forms of one-dimensional tetrameric cluster. The relative distributions of organic pollutants in different positions of one-dimensional tetramer water clusters were calculated. The results show that , The relative distribution of organic pollutants at the water body boundary is higher than that of the water body.