GIPAW Pseudopotentials of d Elements for Solid-State NMR

Computational methods are increasingly used to support interpreting, assigning and predicting the solid-state nuclear resonance magnetic spectra of materials. Currently, density functional theory is seen to achieve a good balance between efficiency and accuracy in solid-state chemistry. To be specif...

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Detalles Bibliográficos
Autores principales: Tantardini, Christian, Kvashnin, Alexander G., Ceresoli, Davide
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101793/
https://www.ncbi.nlm.nih.gov/pubmed/35591680
http://dx.doi.org/10.3390/ma15093347

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9101793/
https://www.ncbi.nlm.nih.gov/pubmed/35591680
http://dx.doi.org/10.3390/ma15093347

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