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Structural Evolution and Electronic Properties of Selenium-Doped Boron Clusters SeB(n)(0/−) (n = 3–16)

A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeB(n)(0/−) (n = 3–16) is performed using particle swarm optimization (CALYPSO) software in combination with density functional theory calculations. The lowest energy str...

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Detalles Bibliográficos
Autores principales:	Yang, Yue-Ju, Li, Shi-Xiong, Chen, De-Liang, Long, Zheng-Wen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9824103/ https://www.ncbi.nlm.nih.gov/pubmed/36615549 http://dx.doi.org/10.3390/molecules28010357

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