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Quantum-Chemical Consideration of Al(2)M(2) Tetranuclear Metal Clusters (M–3d-Element): Molecular/Electronic Structures and Thermodynamics
Quantum-chemical calculation of most important parameters of molecular and electronic structures of tetra-nuclear (pd) metal clusters having Al(2)M(2) composition, where M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, or Zn (bond lengths, bond and torsion angles), and HOMO and LUMO of these compounds by mean...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8619736/ https://www.ncbi.nlm.nih.gov/pubmed/34832238 http://dx.doi.org/10.3390/ma14226836 |