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Adsorption properties of magnetic species in nano-porous crystals were studied theoretically. The crystal [Rh 2 bza 4 pyz] n , which had been reported by Mori, Takamizawa and their co-workers in detailed, was employed in this study. As adsorbed magnetic radicals, a oxygen molecule (O 2 ; S=1) was treated. From the results by our MO calculations, weak magnetic interactions...
The adsorption properties in nanoporous crystals of a metal-organic framework were studied theoretically. The Zn 3 (BDC) 3 ·6CH 3 OH (BDC=1,4-benzenedicarboxylate) crystal was mainly treated as a stable metal-organic assembled species, which was reported by O.M. Yaghi and co-workers. Its crystalline structure very much resembles several crystals that have been reported by W...
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