期刊
MENDELEEV COMMUNICATIONS
卷 26, 期 6, 页码 485-487出版社
ELSEVIER
DOI: 10.1016/j.mencom.2016.11.008
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资金
- Russian Science Foundation [16-13-10050]
- Russian Science Foundation [16-13-10050] Funding Source: Russian Science Foundation
The novel stable C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms have been computationally designed using DFT B3LYP/6-311+G(d,p) and M06/6-311+G(d,p) methods.
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