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用B3LYP/Lan1 2dz方法优化了La2 Cn(n =- 1 ,0 ,+1 )分子的结构 ,计算了La2 C的电子亲和势和离化能 ,并对计算结果进行了讨论。
The structure of La2 Cn (n = -1, 0, +1) molecules was optimized by B3LYP / Lan1 2dz method. The electron affinity and the ionization energy of La2 C were calculated. The calculation results were also discussed.