Models of Molecular Structures of Hexa-Nuclear Al<sub>n</sub>Fe<sub>m</sub> Metal Clusters (n + m = 6): DFT Quantum-Chemical Design
By using the density functional theory (DFT) method at the OPBE/QZVP level, key parameters of molecular structures of six-atomic (heterobi)nuclear metal clusters with an Al<sub>n</sub>Fe<sub>m</sub> composition (n + m = 6) (bond lengths, bond angles, and torsion (dihedral) an...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-01-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/14/3/597 |