Environmental effect on the relative contribution of the charge-transfer mechanisms within a short DNA sequence

Journal of Physical Chemistry B

Volumn 110, Issue 1, 2006, Pages 631-636

  Kim, Heeyoung ^a   Sim, Eunji ^a  

^a Yonsei University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DECOMPOSITION; ENVIRONMENTAL IMPACT; NATURAL FREQUENCIES; OHMIC CONTACTS; PHOSPHATES; SOLVENTS;

CHARGE-TRANSFER MECHANISMS; DENSITY MATRIX DECOMPOSITION; NUCLEOBASE SEQUENCE; ON-THE-FLY FILTERED PROPAGATOR;

DNA SEQUENCES;

EID: 31144455470     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053893w     Document Type: Article

References (30)

1. Burrows, C. J.; Muller, J. G. Chem. Rev. 1998, 98, 1109.
2. Murphy, C. J.; Arkin, M. R.; Jenkins, Y.; Ghatila, N. D.; Bossman, S. H. ; Turro, N. J.; Barton, J. K. Science 1993, 262, 1025.
3. Giese, B.; Amaudrut, J.; Köhler, A.-K.; Spormann, M.; Wessely, S. Nature 2001, 412, 318.
4. Fink, H.-W.; Schonenberger, C. Nature 1999, 398, 407.
5. Porath, D.; Bezryadin, A.; de Vries, S.; Dekker, C. Nature 2000, 403, 635.
6. Bixon, M.; Giese, B.; Wessely, R.; Langenbacher, T.; Michel-Beyerle, M. E.; Jortner, J. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 11713.
7. Berlin, Y. A.; Burin, A. L.; Ratner, M. A. Chem. Phys. 2002, 275, 61.
8. Brozema, F. C.; Berlin, Y. A.; Siebbeles, L. D. J. Am. Chem. Soc. 2000, 122, 10903.
9. Voityuk, A. A.; Rösch, N.; Bixon, M.; Jortner, J. J. Phys. Chem. B 2000, 104, 9740.
10. Henderson, P. T.; Jones, D.; Hampikian, G.; Kan, Y.; Schuster, G. B. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 8353.
11. Sartor, V.; Boone, E.; Schuster, G. B. J. Phys. Chem. B 2001, 105, 11057.
12. Conwell, E. M.; Rakhmanova, S. V. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 4556.
13. Zhang, H.; Li, X.-Q.; Hang, P.; Yu, X. Y.; Yan, Y. J. Chem. Phys. 2002, 117, 4578.
14. There is a relevant Liouville formalism by Mukamel and co-workers (Hu, Y.; Mukamel, S. J. Chem. Phys. 1989, 91, 6973) in which rate constants of the incoherent hopping and coherent superexchange transport are formulated by separating pathways in Liouville space. It should be noted that the pathways of Feynman's path integral formalism discussed in this article are defined in Hilbert space, that is, quantum mechanical trajectories in real-time and space.
15. Sim, E. J. Phys. Chem. B 2004, 108, 19093.
16. Sim, E. J. Phys. Chem. B 2005, 109, 11829.
17. Sim, E. J. Chem. Phys. 2001, 115, 4450.
18. Sim, E.; Makri, N. Comput. Phys. Commun. 1997, 99, 335.
19. Voityuk, A.; Jortner, J.; Bixon, M.; Rösch, N. Chem. Phys. Lett. 2000, 324, 430.
20. Bixon, M.; Jortner, J. Chem. Phys. 2002, 281, 393.
21. Voityuk, A. A.; Jorner, J.; Bixon, M.; Rösch, N. J. Chem. Phys. 2001, 114, 5614.
22. Troisi, A.; Orlandi, G. Chem. Phys. Lett. 2001, 344, 509.
23. Renger, T.; Marcus, R. A. J. Phys. Chem. A 2003, 107, 8404.
24. Sim, E.; Makri, N. J. Phys. Chem. B 1997, 101, 5446.
25. Yang, L.; Beard, W. A.; Wilson, S. H.; Broyde, S.; Schlick, T. J. Mol Biol. 2002, 317, 651.
26. McConnell, H. M. J. Chem. Phys. 1961, 35, 508.
27. Wan, C.; Fiebig, T.; Kelley, S. O.; Treadway, C. R.; Barton, J. K.; Zewail, A. H. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 6014.
28. Wan, C.; Fiebig, T.; Schiemann, O.; Barton, J. K.; Zewail, A. H. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 14052.
29. Meggers, E.; Michel-Beyerle, M. E.; Giese, B. J. Am. Chem. Soc. 1998, 120, 12950.
30. Cramer, T.; Krapf, S.; Koslowski, T. J. Phys. Chem. B 2004, 108, 11812.