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Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd(2)As(14)](4−) and [Au(2)Sb(14)](4−) Clusters
We report a computational study on the structures and bonding of a charged molecular alloy D (2h) [Pd(2)As(14)](4−) (1), as well as a model D (2h) [Au(2)Sb(14)](4−) (2) cluster. Our effort makes use of an array of quantum chemistry tools: canonical molecular orbital analysis, adaptive natural densit...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5429782/ https://www.ncbi.nlm.nih.gov/pubmed/28400557 http://dx.doi.org/10.1038/s41598-017-00867-5 |