Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2017
|
| Materias: | |
| 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 |