Cargando…
Concerning the Role of σ-Hole in Non-Covalent Interactions: Insights from the Study of the Complexes of ArBeO with Simple Ligands
The structure, stability, and bonding character of some exemplary LAr and L-ArBeO (L = He, Ne, Ar, N(2), CO, F(2), Cl(2), ClF, HF, HCl, NH(3)) were investigated by MP2 and coupled-cluster calculations, and by symmetry-adapted perturbation theory. The nature of the stabilizing interactions was also a...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348141/ https://www.ncbi.nlm.nih.gov/pubmed/34361629 http://dx.doi.org/10.3390/molecules26154477 |