Cyclic Six-Atomic Boron-Nitrides: Quantum-Chemical Consideration by Ab Initio CCSD(T) Method
By means of the CCSD(T)/6-311++G(df,p) and G4 quantum-chemical calculation methods, the calculation of the molecular and electronic structures of boron–nitrogen compounds having the B<sub>3</sub>N<sub>3</sub> composition was carried out and its results were discussed. It was...
Main Authors: | Denis V. Chachkov, Oleg V. Mikhailov |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2022-09-01
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Series: | Quantum Reports |
Subjects: | |
Online Access: | https://www.mdpi.com/2624-960X/4/3/25 |
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