Structures, stabilities and spectral properties of borospherene B(44)(−) and metalloborospherenes MB(44)(0/−) (M = Li, Na, and K)

Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to study the stabilities, photoelectron, infrared, Raman and electronic absorption spectra of borospherene B(44)(−) and metalloborospherenes MB(44)(0/−) (M = Li, Na, and K). It is found...

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Detalles Bibliográficos
Autores principales: Li, Shixiong, Zhang, Zhengping, Long, Zhengwen, Qin, Shuijie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5223222/
https://www.ncbi.nlm.nih.gov/pubmed/28071694
http://dx.doi.org/10.1038/srep40081

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5223222/
https://www.ncbi.nlm.nih.gov/pubmed/28071694
http://dx.doi.org/10.1038/srep40081

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