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The magnetic and other physical properties between Cu 2+ ions coordinated by salen–base pairs (Cu 2+ –DNA) are examined by using DFT calculations. In order to consider effects of entanglement and dis-entanglement of the double helix chain, three types of structural disorders i.e. distance, rotation angle and discrepancy in XY-plane, are changed in the model dimer structure. All calculated...
The origin of a ferromagnetic interaction between Cu 2+ ions in the Cu 2+ –DNA system which reported by Tanaka et al. is examined by using DFT calculations. In order to consider effects of an entanglement and a dis-entanglement of the double helix chain, three types of structural disorders i.e. distance, rotation angle and discrepancy in XY-plane, are considered in the model dimer...
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