Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
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A Theoretical Study on Superexchange Interaction in KCoF3 and Cs1-xNaxMnII(CN)3 by Chemical Bonding Rule
Taku ONISHI
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2015 年 13 巻 6 号 p. 319-320

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Previously, we demonstrated that Cs1-xNaxMnII(CN)3 prussian blue analog exhibits high-efficient cesium adsorption, through the ion-exchange between cesium and sodium ions under applied voltage. In this study, we investigated the superexchange interaction between manganese atoms via cyano-ligand, by the use of chemical bonding rule.

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© 2015 Society of Computer Chemistry, Japan
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