Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/48825
Título: Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameters
Palavras-chave: Magnetic field
Water
Dimer
Data do documento: 2021
Editor: Taylor & Francis
Citação: 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.
Resumo: 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
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