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Structural and Spectral Properties of a Nonclassical C(66) Isomer with Its Hydrogenated Derivative C(66)H(4) in Theory
[Image: see text] X-ray photoelectron and near-edge X-ray absorption fine structure (NEXAFS) spectra, as well as the ground-state electronic/geometrical structures of a newly discovered nonclassical isomer C(2v)-C(66)(NC), and two classical fullerene isomers C(2)-(#4466)C(66) and C(s)-(#4169)C(66) w...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529658/ https://www.ncbi.nlm.nih.gov/pubmed/34693130 http://dx.doi.org/10.1021/acsomega.1c03691 |