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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...
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| Udgivet i: | J Phys Chem A |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical
Society
2021
|
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8023705/ https://ncbi.nlm.nih.gov/pubmed/33605721 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.0c10884 |
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