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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)...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |