Please use this identifier to cite or link to this item:
http://repositorio.ufla.br/jspui/handle/1/48825
Title: | Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameters |
Keywords: | Magnetic field Water Dimer |
Issue Date: | 2021 |
Publisher: | Taylor & Francis |
Citation: | TOLEDO, E. J. L. ; RAMALHO, T. C. Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameters. Molecular Simulation, [S.l.], v. 47, n. 14, p. 1159-1167, 2021. DOI: 10.1080/08927022.2021.1957883. |
Abstract: | The application of a magnetic field in water has been the subject of discussion because of possible technological innovations and controversies. Herein, theoretical calculations were carried out and a high magnetic field was applied in different directions, senses and intensity in water dimers. Our findings point out that these three variables significantly impact the obtained trend and results considering the hydrogen bond strength. Keeping this in mind, a better description of the experimental arrangement should occur to inform the positioning of the field in relation to the system to avoid controversies, especially in fields smaller than 100 T. |
URI: | https://www.tandfonline.com/doi/abs/10.1080/08927022.2021.1957883 http://repositorio.ufla.br/jspui/handle/1/48825 |
Appears in Collections: | DQI - Artigos publicados em periódicos |
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.