Electronic Properties of Möbius Cyclacenes Studied by Thermally-Assisted-Occupation Density Functional Theory

It has been extremely difficult for traditional theoretical methods to adequately predict the properties of systems possessing radical character (i.e., multi-reference systems), especially for multi-reference systems at the nanoscale. To circumvent this, we employ thermally-assisted-occupation densi...

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Detalles Bibliográficos
Autores principales: Chung, Jui-Hui, Chai, Jeng-Da
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6393452/
https://www.ncbi.nlm.nih.gov/pubmed/30814641
http://dx.doi.org/10.1038/s41598-019-39524-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6393452/
https://www.ncbi.nlm.nih.gov/pubmed/30814641
http://dx.doi.org/10.1038/s41598-019-39524-4

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