Virtual Vibrational Spectrometry of Stable Radicals—Necklaced Graphene Molecules

The article presents results of an extended virtual experiment on graphene molecules performed using the virtual vibrational spectrometer HF Spectrodyn that exploits semiempirical Hartree–Fock approximation. The molecules are composed of flat graphene domains surrounded with heteroatom necklaces. No...

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Detalles Bibliográficos
Autor principal: Sheka, Elena F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8877590/
https://www.ncbi.nlm.nih.gov/pubmed/35214926
http://dx.doi.org/10.3390/nano12040597

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8877590/
https://www.ncbi.nlm.nih.gov/pubmed/35214926
http://dx.doi.org/10.3390/nano12040597

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