Cargando…
Spatial Contributions to Nuclear Magnetic Shieldings
[Image: see text] We develop a methodology for calculating, analyzing, and visualizing nuclear magnetic shielding densities which are calculated from the current density via the Biot–Savart relation. Atomic contributions to nuclear magnetic shielding constants can be estimated within our framework w...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023705/ https://www.ncbi.nlm.nih.gov/pubmed/33605721 http://dx.doi.org/10.1021/acs.jpca.0c10884 |