| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379429 | Chemical Physics Letters | 2016 | 6 Pages |
Abstract
â¿¢For the Sm-containing EMF Sm@C94, a novel structure, namely Sm@C1(153491)-C94, has been reported for the first time.â¿¢The frontier molecular orbital, natural electron configuration, and Mayer bond order of Sm@C1(153491)-C94 and Sm@C3v(153493)-C94 were investigated to uncover their electronic properties.â¿¢The structural correlation among three isomers of Sm@C2n(20Â =Â 92â¿¿94) is disclosed.
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Authors
Pei Zhao, Yi-Jun Guo, Rui-Sheng Zhao, Xiang Zhao,