Side-on O2 interaction with heme-based nanomaterials

European Physical Journal D

Volumn 38, Issue 1, 2006, Pages 139-141

  Tsuda, M ^a   Dy, E S ^a   Kasai, H ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CATALYSTS; IRON COMPOUNDS; MANGANESE COMPOUNDS;

AB INITIO; DENSITY-FUNCTIONAL CALCULATIONS; DISSOCIATION BARRIER; IRON PORPHYRIN; IRON-PORPHYRIN; MANGANESE IRON; MANGANESE PORPHYRINS; PLATINUM CATALYSTS; SEXTET STATE; SINGLET STATE;

PORPHYRINS;

EID: 33645008122     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2005-00253-y     Document Type: Conference Paper

References (35)

1. D. Dolphin, R.H. Felton, Ace. Ghem. Res. 7, 26 (1974)
2. The Porphyrins, edited by D. Dolphin (Academic, New York, 1978)
3. M. Tsuda, W.A. Diño, H. Nakanishi, H. Kasai, e-J. Surf. Sci. Nanotech. 2, 226 (2004)
4. M. Tsuda, W.A. Diño, H. Nakanishi, H. Kasai, Chem. Phys. Lett. 402, 71 (2005)
5. M. Tsuda, W.A. Diño, H. Kasai, Jpn J. Appl. Phys. 44, L57 (2005)
6. M. Tsuda, E.S. Dy, H. Kasai., J. Chem. Phys. 122, 244719 (2005)
7. C. Rovira, K. Kunc, J. Hutter, P. Ballone, M. Parrinello, J. Phys. Chem. A 101, 8914 (1997)
8. K.M. Vogel, P.M. Kozlowski, M.Z. Zgierski, T.G. Spiro, J. Am. Chem. Soc. 121, 9915 (1999)
9. T. Watanabe, T. Ama, K. Nakamoto, J. Phys. Chem. 88, 440 (1984)
10. M.R. Chance, S.H. Courtney, M.D. Chavez, M.R. Ondrias, J.M. Friedman, Biochemistry 29, 5537 (1990)
11. L.M. Miller, M. Patel, M.R. Chance, J. Am. Chem. Soc. 118, 4511 (1996)
12. M.W. Urban, K. Nakamoto, F. Basolo, Inorg. Chem. 21, 3406 (1982)
13. W.A. Diño, H. Kasai, A. Okiji, Prog. Surf. Sci. 63, 63 (2000)
14. M. Okada, K. Moritani, A. Yoshigoe, Y. Teraoka, H. Nakanishi, W.A. Diño, H. Kasai, T. Kasai, Chem. Phys. 301, 315 (2004)
15. P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)
16. W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)
17. A.D. Becke, J. Chem. Phys. 98, 5648 (1993)
18. J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)
19. T.H. Dunning Jr, P.J. Hay, in Modern Theoretical Chemistry, edited by H.F. Schaefer III (Plenum, New York, 1976), pp. 1-28
20. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 270 (1985)
21. W.R. Wadt, P.J. Hay, J. Chem. Phys. 82, 284 (1985)
22. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 299 (1985)
23. M.J. Frisch et al., Gaussian 03, Revision B.05 (Gaussian, Inc., Pittsburgh PA, 2003)
24. A.E. Reed, L.A. Curtiss, F. Weinhold, Chem. Rev. 88, 899 (1988)
25. C. Peng, P.Y. Ayala, H.B. Schlegel, M.J. Frisch, J. Comput. Chem. 17, 49 (1996)
26. C. Peng, H.B. Schlegel, Isr. J. Chem. 33, 449 (1994)
27. 2
28. Y.F. Zhang, Z.F. Liu, J. Phys. Chem. B 108, 11435 (2004)
29. Y.J. Xu, J.Q. Li, Chem. Phys. Lett. 400, 406 (2004)
30. X.L. Fan, Y.F. Zhang, W.M. Lau, Z.F. Liu, Phys. Rev. Lett. 94, 016101 (2005)
31. J. Behler, B. Delley, S. Lorenz, K. Reuter, M. Schemer, Phys. Rev. Lett. 94, 036104 (2005)
32. R.S. Czernuszewicz, Y.O. Su, M.K. Stern, K.A. Macor, D. Kim, J.T. Groves, T.G. Spiro, J. Am. Chem. Soc. 110, 4158 (1988)
33. R.J. Nick, G.B. Ray, K.M. Fish, T.G. Spiro, J.T. Groves, J. Am. Chem. Soc. 113, 1838 (1991)
34. A. Eichler, J. Hafner, Phys. Rev. Lett. 79, 4481 (1997)
35. S. Yotsuhashi, Y. Yamada, W.A. Diño, H. Nakanishi, H. Kasai, Phys. Rev. B 72, 033415 (2005)