期刊
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
卷 92, 期 9, 页码 1720-1726出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0036024418090078
关键词
atomic clusters; electronic structure; computer simulation; DFT
Results from optimizing the atomic structure of anionic clusters NbGen- (n = 8-20) are presented, along with their calculated electronic spectra. The calculations are performed within the density functional theory. The real spatial structures of the clusters are determined by comparing the calculated and known experimental data.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据