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Study on structures, electronic, spectral and thermodynamic properties of lanthanide-doped boron-based MBn-(M = La, Ce, Pr; n=8, 9) clusters

Cheng-Gang Li,Ying-Qi Cui,Hao Tian,Jie Zhang,Zi-Gang Shen,Bao-Zeng Ren,Yu-Quan Yuan

Journal of Molecular Structure（2022）

引用 4|浏览4
关键词
Density functional theory,CALYPSO,Lanthanides,Properties
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