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On the Significance of Lone Pair/Lone Pair and Lone Pair/Bond Pair Repulsions in the Cation Affinity and Lewis Acid/Lewis Base Interactions
[Image: see text] Interaction of H(2)O, H(2)S, H(2)Se, NH(3), PH(3), and AsH(3) with cations H(+), CH(3)(+), Cu(+), Al(+), Li(+), Na(+), and K(+) was studied from the energetic and structural viewpoint using B3LYP/6-311++G(d,p) method. The charge transfer from the Lewis bases to the cations reduces...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645108/ https://www.ncbi.nlm.nih.gov/pubmed/31459241 http://dx.doi.org/10.1021/acsomega.8b01644 |