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Volumn 109, Issue 32, 2005, Pages 15345-15348

On the magnetic alignment of metal ions in a DNA-mimic double helix

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT; ANTIFERROMAGNETISM; COPPER; DIMERS; DNA; DNA SEQUENCES; FERROMAGNETISM; IONS; KETONES; MAGNETIC DEVICES; PROBABILITY DENSITY FUNCTION; WIRE;

EID: 24344461244     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052202t     Document Type: Article
Times cited : (33)

References (32)
  • 4
    • 85015106657 scopus 로고    scopus 로고
    • Seeman, N. C. Nature 2003, 421, 427-431.
    • (2003) Nature , vol.421 , pp. 427-431
    • Seeman, N.C.1
  • 19
    • 4444317556 scopus 로고    scopus 로고
    • J. Phys. Chem. B 2004, 108, 13058.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 13058
  • 27
    • 24344465525 scopus 로고    scopus 로고
    • note
    • According to a purely one-particle picture, one would instead expect the highest edge of the occupied levels to be determined by the majority-spins (unpaired occupation).
  • 29
    • 24344477228 scopus 로고    scopus 로고
    • Di Felice, R.; Alexandre, S. S.; Calzolari, A.; Garbesi, A.; Soler, J. M. 2005, unpublished
    • Di Felice, R.; Alexandre, S. S.; Calzolari, A.; Garbesi, A.; Soler, J. M. 2005, unpublished.
  • 30
    • 24344450402 scopus 로고    scopus 로고
    • note
    • The DFT total energy of the FM state is lower than that of the AM state by a few tens of meV/spin, which in principle could give a rough estimate of the magnetic ordering and spin-spin coupling depending on the temperature. However, we believe that the natural environment around the base-plane stack and edge effects in the finite real polymers are relevant in determining the ultimate energetical stability. Furthermore, such tiny energy values are not accurate within the adopted computational technique and cannot be used for a predictive interpretation of experimental conditions.
  • 31
    • 24344467580 scopus 로고    scopus 로고
    • note
    • To compare the energy levels of the ferromagnetic and antiferromagnetic phases, the eigenvalues of the lowest occupied orbitals have been aligned. Hence, the energies given for the electron states of the antiferromagnetic wire can be located on the same scale of the plot in Figure 3 (see Supplementary Information).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.