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DFT Study of Molecular and Electronic Structure of Ca(II) and Zn(II) Complexes with Porphyrazine and tetrakis(1,2,5-thiadiazole)porphyrazine

Electronic and geometric structures of Ca(II) and Zn(II) complexes with porphyrazine (Pz) and tetrakis(1,2,5-thiadiazole)porphyrazine (TTDPz) were investigated by density functional theory (DFT) calculations and compared. The perimeter of the coordination cavity was found to be practically independe...

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Detalles Bibliográficos
Autores principales:	Otlyotov, Arseniy A., Ryzhov, Igor V., Kuzmin, Ilya A., Zhabanov, Yuriy A., Mikhailov, Maxim S., Stuzhin, Pavel A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7215693/ https://www.ncbi.nlm.nih.gov/pubmed/32331216 http://dx.doi.org/10.3390/ijms21082923

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