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Theoretical studies on the structural and spectral properties of two specific C(54) isomers and the chlorinated species C(54)Cl(8)

X-ray photoelectron (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectra as well as the ground-state electronic/geometrical structures of (#540)C(54) captured in experiment and the most controversial isomer (#369)C(54) (C(2v)- and C(s)-symmetry, respectively) have been calculated at...

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Detalles Bibliográficos
Autores principales: Song, Xitong, Li, Xiaoqi, Qi, Jiayuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9086327/
https://www.ncbi.nlm.nih.gov/pubmed/35547723
http://dx.doi.org/10.1039/c8ra06514d