Polarizable solute in polarizable and flexible solvents: Simulation study of electron transfer reaction systems

Journal of Physical Chemistry B

Volumn 109, Issue 39, 2005, Pages 18558-18564

  Ishida, Tateki ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSIVE MOTIONS; FLEXIBLE WATER SOLVENTS; SOLVENT MODELS; SOLVENT POLARIZATION;

COMPUTER SIMULATION; DIFFUSION; ELECTRON TRANSITIONS; FREE ENERGY; MOLECULAR DYNAMICS; POLARIZATION;

SOLVENTS;

SOLVENT;

ARTICLE; CHEMISTRY; ELECTRON TRANSPORT; THEORETICAL MODEL;

ELECTRON TRANSPORT; MODELS, THEORETICAL; SOLVENTS;

EID: 26844583261     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052268o     Document Type: Article

References (50)

1. Kuznetsov, A. M., Ulstrup, J., Eds. Electron Transfer in Chemistry and Biology: An Introduction to the Theory; Wiley: Chichester, U.K., and New York, 1999.
2. Kuznetsov, A. M., Ed.; Charge Transfer in Physices, Chemistry and Biology: Physical Mechanisms of Elementary Processes and an Introduction to the Theory; Gordon and Breach Science Publishers: Luxembourg, 1995.
3. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265.
4. Marcus, R. A. Discuss. Faraday Soc. 1960, 29, 21.
5. Marcus, R. A. J. Chem. Phys. 1965, 43, 679.
6. Marcus, R. A. J. Phys. Chem. 1968, 72, 891.
7. Marcus, R. A. Annu. Rev. Phys. Chem. 1964, 15, 155.
8. Hush, N. S. J. Chem. Phys. 1958, 28, 296.
9. Warshel, A. Proc. Natl. Acad. Sci. USA. 1984, 81, 444.
10. Hwang, J. K.; King, G.; Creighton, S.; Warshel, A. J. Am. Chem. Soc. 1988, 110, 5297.
11. Warshel, A. J. Phys. Chem. 1982, 56, 2218.
12. Churg, A. K.; Weiss, R. M.; Warshel, A.; Takano, T. J. Phys. Chem. 1983, 87, 1683.
13. Hwang, J.-K.; Warshel, A. J. Am. Chem. Soc. 1987, 109, 715.
14. King, G.; Warshel, A. J. Chem. Phys. 1990, 93, 8682.
15. Marcus, R. A. J. Chem. Phys. 1956, 24, 966.
16. Marcus, R. A. J. Chem. Phys. 1956, 24, 979.
17. Marcus, R. A. J. Chem. Phys. 1957, 26, 867.
18. Marcus, R. A. J. Chem. Phys. 1957, 26, 872.
19. Warshel, A.; Hwang, J.-K. J. Chem. Phys. 1986, 84, 4938.
20. Kuharski, R. A.; Bader, J. S.; Chandler, D.; Sprik, M.; Klein, M.; Impey, R. W. J. Chem. Phys. 1988, 89, 3248.
21. Hatano, Y.; Saito, M.; Kakitani, T.; Malaga, N. J. Phys. Chem. 1988, 92, 1008.
22. Carter, E. A.; Hynes, J. T. J. Phys. Chem. 1989, 93, 2184.
23. Yoshimori, A.; Kakitani, T.; Enomoto, Y.; Mataga, N. J. Phys. Chem. 1989, 93, 8316.
24. Ichiye, T. J. Chem. Phys. 1996, 104, 7561.
25. Bader, J. S.; Berne, B. J. J. Chem. Phys. 1996, 104, 1293.
26. Yelle, R. B.; Ichiye, T. J. Phys. Chem. B 1997, 101, 4127.
27. Chong, S.-H.; Hirata, F. J. Chem. Phys. 1997, 106, 5225.
28. Fischer, S. F. J. Chem. Phys. 1970, 53, 3195.
29. van Duyne, R. P.; Fischer, S. F. Chem. Phys. 1974, 5, 183.
30. Wolynes, P. G. J. Chem. Phys. 1987, 87, 6559.
31. Warshel, A.; Chu, Z. T.; Parson, W. W. Science 1989, 246, 112.
32. Cao, J.; Voth, G. A. J. Chem. Phys. 1997, 106, 1769.
33. Ungar, L. W.; Newton, M. D.; Voth, G. A. J. Phys. Chem. B 1999, 103, 7367.
34. Zhou, H.-X.; Szabo, A. J. Chem. Phys. 1995, 103, 3481.
35. Aqvist, J.; Hansson, T. J. Phys. Chem. 1996, 100, 9512.
36. Matyushov, D. V.; Voth, G. A. J. Chem. Phys. 2000, 113, 5413.
37. Warshel, A. Chem. Phys. Lett. 1978, 55, 454.
38. Warshel, A. J. Phys. Chem. 1979, 83, 1640.
39. Warshel, A.; Russell, S. T. Q. Rev. Biophys. 1984, 17, 283.
40. Warshel, A.; Weiss, R. M. J. Am. Chem. Soc. 1980, 102, 6218.
41. Toukan, K.; Rahman, A. Phys. Rev. B 1985, 37, 2643.
42. Dang, L. X.; Pettitt, B. M. J. Chem. Phys. 1987, 97, 3349.
43. Lefohn, A. E.; Ovchinnikov, M.; Voth, G. A. J. Phys. Chem. B 2001, 105, 6628.
44. Morita, A.; Kato, S. J. Chem. Phys. 1998, 108, 6809.
45. Bursulaya, B. D.; Zichi, D. A.; Kim, H. J. J. Phys. Chem. 1995, 99, 10069.
46. Bursulaya, B. D.; Zichi, D. A.; Kim, H. J. J. Phys. Chem. 1996, 700, 1392.
47. Newton, M. D. Chem. Rev. 1991, 97, 767.
48. Creutz, C. Prog. Inorg. Chem. 1983, 30, 1.
49. Ferrenberg, A. M.; Swendsen, R. H. Phys. Rev. Lett. 1989, 63, 1195.
50. Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. J. Comput. Chem. 1992, 13, 1011.