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Complexes of CO(2) with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions
Ab initio MP2/aug’-cc-pVTZ calculations have been performed to investigate the complexes of CO(2) with the azoles pyrrole, pyrazole, imidazole, 1,2,3- and 1,2,4-triazole, tetrazole and pentazole. Three types of complexes have been found on the CO(2):azole potential surfaces. These include ten comple...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017967/ https://www.ncbi.nlm.nih.gov/pubmed/29662005 http://dx.doi.org/10.3390/molecules23040906 |