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DFT and TD-DFT investigation of calix[4]arene interactions with TFSI(−) ion
Understanding the interactions of the calix[n]arene molecules with a variety of invited chemicals entities is getting very important. In this context, we have studied a new host-guest such as the interaction of the calix[4]arenes with the bis (trifluoromethylsulfonyl) imide TFSI(−) ion. The energy g...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6888763/ https://www.ncbi.nlm.nih.gov/pubmed/31844737 http://dx.doi.org/10.1016/j.heliyon.2019.e02822 |