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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Detalles Bibliográficos
Autores principales: Chopra, Neha, Kaur, Damanjit, Chopra, Geetanjali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644459/
https://www.ncbi.nlm.nih.gov/pubmed/31457996
http://dx.doi.org/10.1021/acsomega.8b01523

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644459/
https://www.ncbi.nlm.nih.gov/pubmed/31457996
http://dx.doi.org/10.1021/acsomega.8b01523

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