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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...
Guardat en:
| Publicat a: | Molecules |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI
2018
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6017967/ https://ncbi.nlm.nih.gov/pubmed/29662005 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23040906 |
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