Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4−nYn (n = 0–4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds
The nuclear magnetic shieldings of Si, Ge, and Sn in MH4−nYn (M = Si, Ge, Sn; Y = F, Cl, Br, I and n = 1–4) molecular systems are highly influenced by the substitution of one or more hydrogens by heavy-halogen atoms. We applied the linear response elimination of small components (LRESC) formalism to...
| Autores principales: | Maldonado, A.F., Aucar, G.A., Melo, J.I. |
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| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_16102940_v20_n9_p_Maldonado |
| Aporte de: |
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