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Nature and Hierarchy of Hydrogen-Bonding Interactions in Binary Complexes of Azoles with Water and Hydrogen Peroxide
[Image: see text] In the present study, the hydrogen-bonded complexes of azole with water and hydrogen peroxide are systematically investigated by second-order Møller–Plesset perturbation theory and density functional theory with dispersion function calculations. This study suggests that the ability...
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| Publicat a: | ACS Omega |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2018
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6644459/ https://ncbi.nlm.nih.gov/pubmed/31457996 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01523 |
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