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• W1978817437 abstract "Design of spin labels inside for possible molecular spintronics, which contains of 1D spin chain filling single-walled carbon nanotube (SWCNT) with magnetic endohedral fullerenes of (14[email protected]60)2, 14[email protected]60 and C59N has been proposed. Electronic structure and magnetic properties of (14[email protected]60)2-SWCNT, 14[email protected]60-SWCNT, 14[email protected]60 and C59N were characterized. Geometrical effect of (14[email protected]60)2, 14[email protected]60 and C59N within SWCNT on chemical shift of 13C, principal g-tensor, A-tensor in hfc of nitrogen atom and excited state transition was investigated by ab-initio density functional theory. The magnetic properties would be originated in the spin density distribution with π-electron interaction between encapsulated fullerenes and inner surface on SWCNT and extent of charge transfer." @default.
• W1978817437 created "2016-06-24" @default.
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• W1978817437 creator A5071339843 @default.
• W1978817437 date "2011-09-01" @default.
• W1978817437 modified "2023-09-27" @default.
• W1978817437 title "Geometrical effects of (14N@C60)2, 14N@C60 and C59N endohedral fullerenes within single-walled carbon nanotube as peapods on electronic structure and magnetic properties" @default.
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• W1978817437 doi "https://doi.org/10.1016/j.physb.2011.05.039" @default.
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