Density functional theory-based electric field gradient database

The deviation of the electron density around the nuclei from spherical symmetry determines the electric field gradient (EFG), which can be measured by various types of spectroscopy. Nuclear Quadrupole Resonance (NQR) is particularly sensitive to the EFG. The EFGs, and by implication NQR frequencies,...

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Detalles Bibliográficos
Autores principales: Choudhary, Kamal, Ansari, Jaafar N., Mazin, Igor I., Sauer, Karen L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7578653/
https://www.ncbi.nlm.nih.gov/pubmed/33087719
http://dx.doi.org/10.1038/s41597-020-00707-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7578653/
https://www.ncbi.nlm.nih.gov/pubmed/33087719
http://dx.doi.org/10.1038/s41597-020-00707-8

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