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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...
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| Publicado no: | ACS Omega |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2021
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8320112/ https://ncbi.nlm.nih.gov/pubmed/34337261 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.1c02684 |
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