Theoretical studies on magnetic interactions between Cu(II) ions in hydroxypyridone nucleobases

Polyhedron

Volumn 28, Issue 9-10, 2009, Pages 1714-1717

  Nakanishi, Y ^a   Kitagawa, Y ^a   Shigeta, Y ^b   Saito, T ^a   Matsui, T ^c   Miyachi, H ^c   Kawakami, T ^a   Okumura, M ^a   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

^b HYOGO UNIVERSITY   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

Broken symmetry; Cu; DFT; Effective exchange integral; Hydroxypyridone; Metal DNA

Indexed keywords

BOLTZMANN EQUATION; FERROMAGNETIC MATERIALS; FERROMAGNETISM;

BROKEN SYMMETRY; CU; DFT; EFFECTIVE EXCHANGE INTEGRALS; FERROMAGNETIC INTERACTION; HYDROXYPYRIDONE; MAGNETIC INTERACTIONS; METAL-DNA; NUCLEOBASES; THEORETICAL STUDY;

COPPER COMPOUNDS;

EID: 67349200290     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.10.052     Document Type: Article

References (18)

1. Coronado E., Galan-Mascaros J.R., Gomez-Garcia C.J., and Laukhin V. Nature 408 (2000) 447
2. Matsushita M., Kawakami H., Kawada Y., and Sugawara T. Chem. Lett. 36 (2007) 110
3. Tanaka K., Tengeiji A., Kato T., Toyama N., Shiro M., and Shionoya M. J. Am. Chem. Soc. 124 (2002) 12494
4. Tanaka K., Tengeiji A., Kato T., Toyama N., and Shionoya M. Science 299 (2003) 1212
5. Mizoguchi K., Tanaka S., Ogawa T., Shiobara N., and Sakamoto H. Phys. Rev. B 72 (2005) 033106
6. Mallajosyula S.S., and Pati S.K. Phys. Rev. Lett. 98 (2007) 136601
7. Zhang H.Y., Calzolari A., and Felice R.D. J. Phys. Chem. B 109 (2005) 15345
8. Yamaguchi K. In: Carbo R., and Klobukowski M. (Eds). Self-Consistent Field Theory and Applications (1990), Elsevier, Amsterdam 727
9. Kawakami T., Yamanaka S., Yamada S., Mori W., and Yamaguchi K. In: Turnbull M.M., Sugimoto T., and Thompson L.K. (Eds). Molecular-based Magnetic Materials, Theory, Technique and Applications. ACS Symposium Series vol. 644 (1996), American Chemical Society, Washington, DC 30
10. Becke A.D. J. Chem. Phys. 98 (1993) 5648
11. Tatewaki H., and Huzinaga S. J. Chem. Phys. 72 (1980) 339
12. M.J. Frisch et al., gaussian 03, Revision D.02, Gaussian, Inc., Wallingford, CT, 2004.
13. Saenger W. Principles of Nucleic Acid Structure (1984), Springer, New York, NY
14. Kitagawa Y., Kawakami T., Yoshioka Y., and Yamaguchi K. Polyhedron 20 (2001) 1189
15. Tsuzuki S., Uchimaru T., Matsumura K., Mikami M., and Tanabe K. Chem. Phys. Lett. 319 (2000) 547
16. Tsuzuki S., Honda K., Uchimaru T., Mikami M., and Tanabe K. J. Am. Chem. Soc. 124 (2001) 104
17. Kitagawa Y., Soda T., Shigeta Y., Yamanaka S., Yoshioka Y., and Yamaguchi K. Int. J. Quant. Chem. 84 (2001) 592
18. Nakano S., Kitagawa Y., Kawakami T., Okumura M., Nagao H., and Yamaguchi K. Molecules 9 (2004) 792