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: | , |
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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 |