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An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO(2), N(2)O, and CS(2) with Simple Lewis Bases: Some Generalizations
Geometries, equilibrium dissociation energies (D(e)), and intermolecular stretching, quadratic force constants (k(σ)) are presented for the complexes B⋯CO(2), B⋯N(2)O, and B⋯CS(2), where B is one of the following Lewis bases: CO, HCCH, H(2)S, HCN, H(2)O, PH(3), and NH(3). The geometries and force co...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6225110/ https://www.ncbi.nlm.nih.gov/pubmed/30181450 http://dx.doi.org/10.3390/molecules23092250 |