Solvation free energy reaction curves for electron transfer in aqueous solution: Theory and simulation

Journal of Physical Chemistry B

Volumn 101, Issue 20, 1997, Pages 4127-4135

  Yelle, Robert B ^a   Ichiye, Toshiko ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000936310     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970081u     Document Type: Article

References (30)

1. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265-322.
2. Levich, V. G. Adv. Electrochem. Electrochem. Eng. 1966, 4, 349-371.
3. Warshel, A. J. Phys. Chem. 1982, 86, 2218-2224.
4. Churg, A. K.; Weiss, R. M.; Warshel, A.; Takano, T. J. Phys. Chem. 1983, 87, 1683-1694.
5. Hwang, J.-K.; Warshel, A. J. Am. Chem. Soc. 1987, 109, 715-720.
6. King, G.; Warshel, A. J. Chem. Phys. 1990, 93, 8682-8692.
7. Kuharski, R. A.; Bader, J. S.; Chandler, D.; Sprik, M.; Klein, M. L.; Impey, R. W. J. Chem. Phys. 1988, 89, 3248-3257.
8. Chandler, D.; Kuharski, R. A. Faraday Discuss. Chem. Soc. 1988, 85, 329-340.
9. Kakitani, T.; Mataga, N. Chem. Phys. 1985, 93, 381-397.
10. Kakitani, T.; Mataga, N. Chem. Phys. Lett. 1986, 124, 437-441.
11. Carter, E. A.; Hynes, J. T. J. Phys. Chem. 1989, 93, 2184-2187.
12. Tachiya, M. J. Phys. Chem. 1989, 93, 7050-7052.
13. Ichiye, T. J. Chem. Phys. 1996, 104, 7561-7571.
14. Hyun, J.-K.; Babu, C. S.; Ichiye, T. J. Phys. Chem. 1995, 99, 5187-5195.
15. Kim, H. J.; Hynes, J. T. J. Chem. Phys. 1991, 96, 5088-5110.
16. Kim, H. J. J. Chem. Phys. 1996, 105, 6818-6832.
17. Gehlen, J. N.; Chandler, D.; Kim, H. J.; Hynes, J. T. J. Phys. Chem. 1992, 96, 1748-1753.
18. Dang, L. X.; Rice, J. E.; Caldwell, J.; Kollman, P. A. J. Am. Chem. Soc. 1991, 113.
19. Rick, S.; Stuart, S. J.; Berne, B. J. J. Chem. Phys. 1994, 101, 6141.
20. Dang, L. X. J. Chem. Phys. 1992, 97, 2659.
21. Warshel, A.; Russel, S. T. Q. Rev. Biophys. 1994, 17, 283-422.
22. Zhu, S. B.; Singh, S.; Robinson, G. W. Adv. Chem. Phys. 1994, 90.
23. Zhou, H.-X.; Szabo, A. J. Chem. Phys. 1995, 103, 3481-3494.
24. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 23, 327-341.
25. Jorgensen, W. L. J. Am. Chem. Soc. 1981, 103, 335-340.
26. Dang, L. X.; Pettit, B. M. J. Phys. Chem. 1990, 94, 4303-4308.
27. Steinbach, P. J.; Brooks, B. R. J. Comput. Chem. 1994, 15, 667-683.
28. Valleau, J. P.; Torrie, G. M. A Guide to Monte Carlo for Statistical Mechanics: 2. Byways. In Modern Theoretical Chemistry; Berne, B. J., Ed.; Plenum: New York:, 1977; Vol. 5, p 137.
29. Belhadj, M.; Alper, H. E.; Levy, R. M. Chem. Phys. Lett. 1991, 179, 13-30.
30. Yelle, R. B.; Ichiye, T. J. Phys. Chem., submitted for publication.