Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4− and [Au2Sb14]4− Clusters
Abstract We report a computational study on the structures and bonding of a charged molecular alloy D 2h [Pd2As14]4− (1), as well as a model D 2h [Au2Sb14]4− (2) cluster. Our effort makes use of an array of quantum chemistry tools: canonical molecular orbital analysis, adaptive natural density parti...
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Autores principales: | Xue-Rui You, Lin-Yan Feng, Rui Li, Hua-Jin Zhai |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2017
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Materias: | |
Acceso en línea: | https://doaj.org/article/36230522e84f4fa39c50ea06164f733a |
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