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• W2325509044 endingPage "14363" @default.
• W2325509044 startingPage "14355" @default.
• W2325509044 abstract "Chemical binding in a mixed copper sodium carbonate Na2Cu(CO3)2, a layered material showing ferromagnetic intralayer exchange and weak antiferromagnetic interlayer coupling, was examined within the topological analysis of experimental (from high-resolution X-ray diffraction) and theoretical (from periodic quantum chemical calculations) electron density functions in its crystal. Together with modeling of a superexchange pathway within the LSDA and DFT+U approach, the results obtained reveal a very weak Cu···O interaction (0.5 kcal/mol worth) between the copper-carbonate layers that is nevertheless stabilizing (bonding) and may serve as a possible pathway for antiferromagnetic interactions." @default.
• W2325509044 created "2016-06-24" @default.
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• W2325509044 date "2013-11-22" @default.
• W2325509044 modified "2023-10-02" @default.
• W2325509044 title "Extremely Long Cu···O Contact as a Possible Pathway for Magnetic Interactions in Na₂Cu(CO₃)₂" @default.
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• W2325509044 doi "https://doi.org/10.1021/ic4024025" @default.
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