Loading...

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...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Udgivet i:J Phys Chem A
Main Authors: Jinger, Rahul Kumar, Fliegl, Heike, Bast, Radovan, Dimitrova, Maria, Lehtola, Susi, Sundholm, Dage
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
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!