NMR spin-spin coupling constants — ADF 2021.1
2021-7-20 · The finite size of a nucleus: typically, the isotropic J-couplings are reduced in magnitude by about 10 to 15 % for couplings between one of the heaviest NMR nuclei and a light atomic ligand, and even more so for couplings between two heavy atoms, see Ref. . However, one should have really large basis sets with tight basis functions to observe this effect in calculations, …
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