Cargando…
Influence of the nuclear charge distribution and electron correlation effects on magnetic shieldings and spin-rotation tensors of linear molecules
The nuclear charge distribution effects (NChDE) on two response properties, the NMR magnetic shielding (σ) and the nuclear spin-rotation (SR) constants (M), are analyzed. We do it employing point-like and Gaussian-like models for describing the nuclear charge density of three linear molecules: HBr,...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080724/ https://www.ncbi.nlm.nih.gov/pubmed/35541654 http://dx.doi.org/10.1039/c8ra03948h |