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DFT Calculations of (31)P NMR Chemical Shifts in Palladium Complexes

In this study, comparative analysis of calculated (GIAO method, DFT level) and experimental (31)P NMR shifts for a wide range of model palladium complexes showed that, on the whole, the theory reproduces the experimental data well. The exceptions are the complexes with the P=O phosphorus, for which...

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Detalles Bibliográficos
Autores principales:	Kondrashova, Svetlana A., Polyancev, Fedor M., Latypov, Shamil K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9105066/ https://www.ncbi.nlm.nih.gov/pubmed/35566018 http://dx.doi.org/10.3390/molecules27092668

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