Home / Publications / Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si

Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si

Iliya Vladimirovich Getmanskii 1
Iliya Vladimirovich Getmanskii
, 
Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
, 
Vitaliy Viktorovich Koval 1
Vitaliy Viktorovich Koval
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
10.1016/j.mencom.2018.03.021
Published 2018-03-01
Communication , Volume 28, Issue 2, 173-175
6
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Getmanskii I. V. et al. Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si // Mendeleev Communications. 2018. Vol. 28. No. 2. pp. 173-175.
GOST all authors (up to 50) Copy
Getmanskii I. V., Minyaev R. M., Koval V. V., Minkin V. I. Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si // Mendeleev Communications. 2018. Vol. 28. No. 2. pp. 173-175.
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TY - JOUR
DO - 10.1016/j.mencom.2018.03.021
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.021
TI - Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si
T2 - Mendeleev Communications
AU - Getmanskii, Iliya Vladimirovich
AU - Minyaev, Ruslan Mikhailovich
AU - Koval, Vitaliy Viktorovich
AU - Minkin, Vladimir Isaakovich
PY - 2018
DA - 2018/03/01
PB - Mendeleev Communications
SP - 173-175
IS - 2
VL - 28
ER -
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@article{2018_Getmanskii,
author = {Iliya Vladimirovich Getmanskii and Ruslan Mikhailovich Minyaev and Vitaliy Viktorovich Koval and Vladimir Isaakovich Minkin},
title = {Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si},
journal = {Mendeleev Communications},
year = {2018},
volume = {28},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.021},
number = {2},
pages = {173--175},
doi = {10.1016/j.mencom.2018.03.021}
}
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Getmanskii, Iliya Vladimirovich, et al. “Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si.” Mendeleev Communications, vol. 28, no. 2, Mar. 2018, pp. 173-175. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.021.

Abstract

The quantum chemical modeling of new solid state structures based on a diamond lattice in which pairs of carbon atoms are replaced by B4X fragments (where B4 is a tetrahedron and X are B, C, Al or Si atoms) has been performed using density functional calculations.

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