从键的整体演化过程可以看出，子体系的尺寸效应对这类团簇负离子的结构和成键有很大影响。
This evolution shows a size effect of the subunits on the structure and the bond for the molecular cluster anions.
详细地分析了团簇的结构特征，平均结合能，垂直电离势，垂直电子亲和能，电荷转移以及成键特征。
Structural features, binding energies, vertical ionization potentials, vertical electron affinity, charge transfers, and binding characters were evaluated for each au-ni binary cluster.
三种元素的六员环短-长键交替结构都是各自环簇中最稳定的结构。
The six-membered ring of each kind of metals is the most stable.
应用推荐