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

Tatyana N Gribanova 1
Tatyana N Gribanova
, 
Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
10.1016/j.mencom.2016.11.008
Published 2016-10-27
Communication , Volume 26, Issue 6, 485-487
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Gribanova T. N., Minyaev R. M., Minkin V. I. Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study // Mendeleev Communications. 2016. Vol. 26. No. 6. pp. 485-487.
GOST all authors (up to 50) Copy
Gribanova T. N., Minyaev R. M., Minkin V. I. Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study // Mendeleev Communications. 2016. Vol. 26. No. 6. pp. 485-487.
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TY - JOUR
DO - 10.1016/j.mencom.2016.11.008
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.11.008
TI - Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study
T2 - Mendeleev Communications
AU - Gribanova, Tatyana N
AU - Minyaev, Ruslan Mikhailovich
AU - Minkin, Vladimir Isaakovich
PY - 2016
DA - 2016/10/27
PB - Mendeleev Communications
SP - 485-487
IS - 6
VL - 26
ER -
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@article{2016_Gribanova,
author = {Tatyana N Gribanova and Ruslan Mikhailovich Minyaev and Vladimir Isaakovich Minkin},
title = {Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study},
journal = {Mendeleev Communications},
year = {2016},
volume = {26},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.11.008},
number = {6},
pages = {485--487},
doi = {10.1016/j.mencom.2016.11.008}
}
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Gribanova, Tatyana N., et al. “Structure and stability of the C-doped boron fullerenes B60C12 and B80C12 with quasi-planar pentacoordinated cage carbon atoms: a quantum-chemical study.” Mendeleev Communications, vol. 26, no. 6, Oct. 2016, pp. 485-487. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.11.008.

Abstract

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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