Ab initio study of long-distance electron tunneling in a model peptide system

Journal of Physical Chemistry B

Volumn 104, Issue 35, 2000, Pages 8606-8613

  Kim, Jongseob ^a   Stuchebrukhov, Alexei ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; CURRENT DENSITY; ELECTRON TRANSITIONS; ELECTRON TUNNELING; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; NUMERICAL ANALYSIS; POLYPEPTIDES; QUANTUM THEORY; RUTHENIUM COMPOUNDS; SPATIAL VARIABLES MEASUREMENT; VORTEX FLOW;

BLUE COPPER CENTER; ELECTRON TUNNELING DYNAMICS; HARTREE-FOCK LEVEL; MODEL PEPTIDE SYSTEM; ORGANOMETALLIC DONOR BRIDGE ACCEPTOR SYSTEM; QUANTUM MECHANICAL FLUX; RUTHENIUM MODIFIED AZURIN; TUNNELING CURRENTS METHOD; TUNNELING FLOW; TUNNELING MATRIX ELEMENT;

ORGANOMETALLICS;

EID: 0034273174     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001314b     Document Type: Article

References (44)

1. (a) Devault, D. Quantum Mechanical Tunneling in Biological Systems; Cambridge University Press: Cambridge, UK, 1984.
2. (b) Electron and Proton Transfer in Chemistry and Biology; Muller, A., et al., Eds.; Eisevier: Amsterdam, 1992.
3. Long-Range Electron Transfer in Biology; Bertrand, P., Ed.; Springer: New York, 1991.
4. Moser, C. C.; Keske, J. M.; Warncke, K.; Farid, R. S.; Dutton, L. P. Nature 1992, 355, 796.
5. Faham, S.; Day, M. W.; Connick, W. B.; Crane, B. R.; Di Bilio, A.; Schaefer, W. P.; Rees, D. C.; Gray, H. B. Science 1998.
6. Bjerrum, M. J.; Casimiro, D. R.; Chang, I.-J.; Di Bilio, A. J.; Gray, H. B.; Hill, M. G.; Langen, R.; Mines, G. A.; Skov, L. K.; Winkler, J. R.; Wuttke, D. S. J. Bioenerg. Biomembr. 1995, 27, 295.
7. Langen, R.; Chang, I.; Germanas, J. P.; Richards, J. H.; Winkler, J. R.; Gray, H. B. Science 1995, 268, 1733.
8. Casimiro, D. R.; Richards, J. H.; Winkler, J. R.; Gray, H. B. J. Phys. Chem. 1993, 97, 13073.
9. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265.
10. Kuznetsov, A. M. Charge Transfer in Physics, Chemistry, and Biology; Gordon and Breach: Amsterdam, 1995.
11. Newton, M. D. Chem. Rev. 1991, 91, 767.
12. Onuchic, J. N.; Beratan, D. N.; Winkler, J. R.; Gray, H. B. Science 1992, 258, 1740.
13. Skourtis, S. S.; Beratan, D. N. Adv. Chem. Phys. 1999, 106, 377.
14. Stuchebrukhov, A. A. J. Chem. Phys. 1996, 104, 8424.
15. Stuchebrukhov, A. A. J. Chem. Phys. 1996,105,10819;
16. Stuchebrukhov, A. A. J. Chem. Phys. 1997, 707, 6495.
17. Stuchebrukhov, A. A. J. Chem. Phys. 1998, 108, 8499.
18. Heifets, E.; Daizadeh, I.; Guo, J.; Stuchebrukhov, A. A. J. Phys. Chem. 1998, 702, 2847.
19. Daizadeh, I.; Guo, J.; Stuchebrukhov, A. A. J. Chem. Phys. 1999, 110, 8865.
20. Hirschfelder, J. O.; Cristoph, A. C.; Palke, W. E. J. Chem. Phys. 1974, 61, 5435.
21. Hirschfelder, J. O.; Goeble, C. J.; Bruch, L. W. J. Chem. Phys. 1974, 61, 5456.
22. Bohmian mechanics and Quantum Theory; An apprisal; Cushing, J., Fine, A., Goldstein, S., Eds.; Kluver Academic: Dordtecht, Holland, 1996.
23. Amos, A. T.; Hall, G. G. Proc. R. Soc. {London) 1961, A263,483.
24. King, H.; Stanton, R. E.; Kirn, H.; Wyatt, R. E.; Parr, R. G. J. Chem. Phys. 1967, 47, 1936.
25. Voter, A. F.; Goddard, W. A. III. Chem. Phys. 1981, 57, 253.
26. Newton, M. D. J. Phys. Chem. 1988, 92, 3049.
27. Newton, M. D.; Ohta, K.; Zhong, E. J. Phys. Chem. 1991,95,2317.
28. Georgievski, Yu.; Kim, J.; Stuchebrukhov, A. A. J. Chem. Phys., to be published.
29. Gehlen, J. N.; Daizadeh, I.; Stuchebrukhov, A. A.; Marcus, R. A. Inorg. Chim. Acta 1996, 243, 271.
30. Daizadeh, L; Gehlen, J. N.; Stuchebrukhov, A. A. J. Chem. Phys. 1997. 106, 5658.
31. Cheung, M.; Daizadeh, I.; Stuchebrukhov, A. A.; Heelis, P. Biophys. J. 1999, 76, 1241.
32. Antony, J.; Medvedev, D. M.; Stuchebrukhov, A. A. J. Am. Chem. Soc. 2000, 122, 1057.
33. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Forseman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkely, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
34. Onsager, L. Micro Cimenta 1949, 6, Supp. 2, 249.
35. Feynman, R. P. Phys. Rev. 1954, 94, 262.
36. McCullough, E. A. Jr.; Wyatt, R. E. J. Chem. Phys. 1971,54,3578.
37. Dirac, P. A. M. Proc. R. Soc. London 1931, A133, 60.
38. Parmenter, R. H.; Valentine, R. W. Phys. Lett. A. 1995, 201, 1.
39. (36),Daizadeh, I.; Medvedev, E. S.; Stuchebrukhov, A. A. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 3703.
40. Medvedev, E. S.; Stuchebrukhov, A. A. J. Chem. Phys. 1997,107, 6495.
41. Medvedev, E. S.; Stuchebrukhov, A. A. IUPAC 1998, 70, 2201.
42. Liang, C. X.; Newton, M. D. J. Phys. Chem. 1992,96,2855;
43. Liang, C. X.; Newton, M. D. J. Phys. Chem. 1993, 97,3199.
44. Cave, R.; Newton, M. D. Chem. Phys. Lett. 1996, 249, 15.