Controversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameters

dc.creatorToledo, Evelyn J. L.
dc.creatorRamalho, Teodorico C.
dc.date.accessioned2022-01-13T01:56:40Z
dc.date.available2022-01-13T01:56:40Z
dc.date.issued2021
dc.description.abstractThe 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.pt_BR
dc.identifier.citationTOLEDO, 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.pt_BR
dc.identifier.urihttps://repositorio.ufla.br/handle/1/48825
dc.identifier.urihttps://www.tandfonline.com/doi/abs/10.1080/08927022.2021.1957883pt_BR
dc.languageen_USpt_BR
dc.publisherTaylor & Francispt_BR
dc.rightsopenAccesspt_BR
dc.sourceMolecular Simulationpt_BR
dc.subjectMagnetic fieldpt_BR
dc.subjectWaterpt_BR
dc.subjectDimerpt_BR
dc.titleControversies about hydrogen bonds in water molecules on the influence of high magnetic fields: implications on structural and electronic parameterspt_BR
dc.typeArtigopt_BR

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