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Symmetry–Binding Correlations of Crown Ether Complexes with Li(+) and Na(+)
[Image: see text] The gas-phase structure of 18-crown-6 in the presence of Li(+) and Na(+) cations is highly flexible and generally distorted. Using density functional theory calculations, natural bond orbital analysis, and symmetry measures, we reveal the driving forces behind the structural and en...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8320112/ https://www.ncbi.nlm.nih.gov/pubmed/34337261 http://dx.doi.org/10.1021/acsomega.1c02684 |