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Investigation of Potential Azeotrope Breakers Using DFT and COSMO Approach
[Image: see text] Different combinations of cations (imidazolium, pyridinium, pyrrolidinium, phosphonium, and ammonium) and anions (basic anions, sulfate, phosphate, and borate) were studied based on the COSMO volume and quantum chemical parameters such as highest occupied molecular orbital/lowest u...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7366358/ https://www.ncbi.nlm.nih.gov/pubmed/32685858 http://dx.doi.org/10.1021/acsomega.0c02086 |