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Geometrical Structures and Electronic Properties of Ga(6) and Ga(5)X (X = B, C, N, O, F, Al, Si, P, S, Cl) Clusters

Based on the unbiased CALYPSO (Crystal structure Analysis by Particle Swarm Optimization) structure searching method in combination with density functional theory (DFT), the geometrical structures and electronic properties are investigated theoretically for Ga(6) and Ga(5)X (X = B, C, N, O, F, Al, S...

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Detalles Bibliográficos
Autores principales:	Hu, Yanfei, Ji, Guangfu, Yao, Yachuan, Yuan, Jiaonan, Xu, Weisen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5951436/ https://www.ncbi.nlm.nih.gov/pubmed/29617277 http://dx.doi.org/10.3390/ma11040552

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