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Structures, Stabilities, and Spectral Properties of Endohedral Borospherenes M@B(40)(0/–) (M = H(2), HF, and H(2)O)

[Image: see text] The discovery of borospherene B(40) leads to a new beginning for the study of boron chemistry and may lead to new boron-based nanomaterials. Based on density functional theory, the structures, electronic properties, infrared and Raman spectra, photoelectron spectra, and electronic...

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Detalles Bibliográficos
Autores principales: Li, Shixiong, Zhang, Zhengping, Long, Zhengwen, Chen, Deliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648648/
https://www.ncbi.nlm.nih.gov/pubmed/31459723
http://dx.doi.org/10.1021/acsomega.9b00209