Formation of spherical aromatic endohedral metallic fullerenes. Evaluation of magnetic properties of m@c 28 (m = ti, zr, and hf) from dft calculations

Inorganic Chemistry

dc.creatorMuñoz-Castro, Álvaro Rafael
dc.creatorKing, R Bruce
dc.date2018-11-29T15:37:23Z
dc.date2022-07-07T21:29:08Z
dc.date2014
dc.date2018-11-29T15:37:23Z
dc.date2022-07-07T21:29:08Z
dc.date2017
dc.date.accessioned2023-08-22T01:25:08Z
dc.date.available2023-08-22T01:25:08Z
dc.identifier1140359
dc.identifier1140359
dc.identifierhttps://hdl.handle.net/10533/228815
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8305745
dc.descriptionThe small C-28 cage has been shown experimentally to encapsulate titanium, zirconium, and hafnium (M), among other elements, Here, we explore computationally its magnetic response properties accounting for both global and local shielding tensors. Our res
dc.descriptionRegular
dc.descriptionFONDECYT
dc.descriptionFONDECYT
dc.languageeng
dc.relationhandle/10533/111556
dc.relationhandle/10533/111541
dc.relationhandle/10533/108045
dc.relationhttps://pubs.acs.org/doi/10.1021/acs.inorgchem.7b02611
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleFormation of spherical aromatic endohedral metallic fullerenes. Evaluation of magnetic properties of m@c 28 (m = ti, zr, and hf) from dft calculations
dc.titleInorganic Chemistry
dc.typeArticulo
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion


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