DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands

Based on the results of a quantum chemical calculation using the DFT method with the OPBE/TZVP and B3PW91/TZVP levels, the possibility of the existence of three cobalt heteroligand complexes containing in the inner coordination sphere porphyrazine, di[benzo]- and tetra[benzo]porphyrazine, and two ox...

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Detalles Bibliográficos
Autores principales: Mikhailov, Oleg V., Chachkov, Denis V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7730303/
https://www.ncbi.nlm.nih.gov/pubmed/33260355
http://dx.doi.org/10.3390/ijms21239085

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7730303/
https://www.ncbi.nlm.nih.gov/pubmed/33260355
http://dx.doi.org/10.3390/ijms21239085

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