摘要
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 structures of La 2C n cluster were optimized by B3LYP/Lan12dz method. The electron affinity and ionization potential in La 2C n cluster were calculated. The results were discussed.
出处
《化学研究》
CAS
2000年第3期21-22,共2页
Chemical Research
关键词
结构优化
电子亲和势
离化能
La2C
原子团簇
structure optimization
electron affinity
ionization potential, La 2C n cluster
