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C74

C74C74
  1. The location of the stable points and transition states in the carbon cage and the possible existence of stable points was described using the representative patch of the C74 ( D3h ) cage .

    利用C74(D3h)的代表区,描述分子处于稳定点及过渡态时La原子的位置及判断在碳笼内存在的可能的稳定点。通过计算得到了镧原子在σh面上的势能变化。

  2. Using the representative patch of the C74 ( D3h ) cage , the interaction of Yb atom and Each key point , the potential energy surface of Yb at the surface of ah in C74 ( D3h ) were described .

    利用C74(D3h)的代表区,研究Yb原子与C74碳笼的每个关键点的相互作用,得到相互作用的势能面。