T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study”, Mendeleev Commun., 26:6 (2016), 485

Эта публикация цитируется в 7 статьях

Communications

Structure and stability of the C-doped boron fullerenes B₆₀C₁₂ and B₈₀C₁₂ with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study

T. N. Gribanova, R. M. Minyaev, V. I. Minkin

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

Аннотация: 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.

Язык публикации: английский

DOI: 10.1016/j.mencom.2016.11.008

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