Theoretical Study of Exchange Coupling in 3d-Gd Complexes: Large Magnetocaloric Effect Systems.

Polynuclear 3d transition metal-Gd complexes are good candidates to present large magnetocaloric effect. This effect is favored by the presence of weak ferromagnetic exchange interactions that have been investigated using methods based on Density Functional Theory. The first part of the study is dev...

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Publicado en:	Journal of the American Chemical Society Vol. 134; no. 25; pp. 10532 - 10543
Autores principales:	Cremades, Eduard, Gômez-Coca, Silvia, Aravena, Daniel, Alvarez, Santiago, Eliseo Ruiz
Formato:	Artículo
Publicado:	American Chemical Society 6/27/2012
Materias:	Magnetic properties of transition metal compounds Gadolinium compounds Ferromagnetism Density functionals Molecular orbitals Exchange reactions
Acceso en línea:	Ver este registro en EBSCOhost