Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 2: Nitrogen-Coordinated Complexes of Cobalt

Both four-component relativistic and nonrelativistic computations within the GIAO-DFT(PBE0) formalism have been carried out for (15)N and (59)Co NMR shielding constants and chemical shifts of a number of the nitrogen-coordinated complexes of cobalt. It was found that the total values of the calculat...

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Detalles Bibliográficos
Autores principales: Samultsev, Dmitry O., Semenov, Valentin A., Rusakova, Irina L., Krivdin, Leonid B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9658221/
https://www.ncbi.nlm.nih.gov/pubmed/36361968
http://dx.doi.org/10.3390/ijms232113178

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9658221/
https://www.ncbi.nlm.nih.gov/pubmed/36361968
http://dx.doi.org/10.3390/ijms232113178

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