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Current-Density Calculations on Zn-Porphyrin(40) Nanorings

[Image: see text] Two porphyrinoid nanorings have been studied computationally. They were built by linking 40 Zn-porphyrin units with butadiyne bridges. The molecular structures belonging to the D(40h) point group were fully optimized with the Turbomole program at the density functional theory (DFT)...

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Detalles Bibliográficos
Autores principales: Mahmood, Atif, Dimitrova, Maria, Sundholm, Dage
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510378/
https://www.ncbi.nlm.nih.gov/pubmed/37665662
http://dx.doi.org/10.1021/acs.jpca.3c03564