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First-Principles Study of Structural, Electronic and Magnetic Properties of Metal-Centered Tetrahexahedral V(15)(+) Cluster

The V-centered bicapped hexagonal antiprism structure (A), as the most stable geometry of the cationic V(15)(+) cluster, is determined by using infrared multiple photo dissociation (IR-MPD) in combination with density functional theory computations. It is found that the A structure can be stabilized...

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Detalles Bibliográficos
Autores principales:	Li, Xiaojun, Ren, Hongjiang, Huang, Xinwei, Li, Shuna
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5535230/ https://www.ncbi.nlm.nih.gov/pubmed/28665337 http://dx.doi.org/10.3390/nano7070164

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