Nonlinear electrical potential fluctuations of solvent around solutes: An integral equation study

Journal of Chemical Physics

Volumn 106, Issue 12, 1997, Pages 5225-5238

  Chong, Song Ho ^a   Hirata, Fumio ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042791310     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473521     Document Type: Article

References (35)

1. R. A. Marcus, J. Chem. Phys. 24, 966 (1956).
2. R. A. Marcus, J. Chem. Phys. 24, 979 (1956).
3. R. A. Marcus, Discuss. Faraday Soc. 29, 21 (1960).
4. R. A. Marcus, J. Chem. Phys. 38, 1858 (1963).
5. R. A. Marcus and N. Sutin, Biochim. Biophys. Acta 811, 265 (1985).
6. A. Yoshimori, T. Kakitani, Y. Enomoto, and N. Mataga, J. Phys. Chem. 93, 8316 (1989).
7. E. A. Carter and J. T. Hynes, J. Phys. Chem. 93, 2184 (1989).
8. G. King and A. Warshel, J. Chem. Phys. 93, 8682 (1990).
9. R. A. Kuharski, J. S. Bader, D. Chandler, M. Sprik, M. L. Klein, and R. W. Impey, J. Chem. Phys. 89, 3248 (1988).
10. T. Fonseca, B. M. Ladanyi, and J. T. Hynes, J. Phys. Chem. 96, 4085 (1992).
11. M. Maroncelli and G. R. Fleming, J. Chem. Phys. 89, 5044 (1988).
12. F. Hirata and P. J. Rossky, Chem. Phys. Lett. 83, 329 (1981).
13. F. Hirata, B. M. Pettitt, and P. J. Rossky, J. Chem. Phys. 77, 509 (1982).
14. F. Hirata, P. J. Rossky, and B. M. Pettitt, J. Chem. Phys. 78, 4133 (1983).
15. S.-H. Chong, S. Miura, G. Basu, and F. Hirata, J. Phys. Chem. 99, 10526 (1995).
16. Note that the definition of ΔE is opposite in sign from that of Paper I.
17. R-X. Zhou and A. Szabo, J. Chem. Phys. 103, 3481 (1995).
18. M. Tachiya, J. Phys. Chem. 93, 7050 (1989).
19. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (North-Holland, Amsterdam, 1981).
20. E. A. Carter and J. T. Hynes, J. Chem. Phys. 94, 5961 (1991).
21. R. M. Levy, M. Belhadj, and D. B. Kitchen, J. Chem. Phys. 95, 3627 (1991).
22. M. Maroncelli, J. Chem. Phys. 94, 2084 (1991).
23. Expressions for a monatomic solute case can be given by replacing ΔE in the equations with V and omitting the functions concerning the second solute site B. See also Sec. II D.
24. R-A. Yu and M. Karplus, J. Chem. Phys. 89, 2366 (1988).
25. R-A. Yu, B. Roux, and M. Karplus, J. Chem. Phys. 92, 5020 (1990).
26. S. J. Singer and D. Chandler, Mol. Phys. 55, 622 (1985).
27. D. A. Zichi and P. J. Rossky, J. Chem. Phys. 84, 1712 (1986).
28. R. A. Kuharski and D. Chandler, J. Phys. Chem. 91, 2978 (1987).
29. The dielectric saturation refers to the saturation in the tendency of the solvent molecules to align in the ionic electric field with increasing the ionic charge, while the electrostriction means the tendency of the solvent molecules to crowd closer to the ion as the ionic charge is increased.
30. T. Ichiye, J. Chem. Phys. 104, 7561 (1996).
31. B. Jayaram, R. Fine, K. Sharp, and B. Honig, J. Phys. Chem. 93, 4320 (1989).
32. The sign of the non-Gaussian parameter is determined from the slope of the charge dependence of the asymmetry parameter, which is obvious in view of Eqs. (2.12) and (2.13). If the slope is positive, then the non-Gaussian parameter takes a negative value, and vice versa.
33. "Exact" results in this paper mean the results obtained within the HNC approximation. Note that no further approximation is assumed.
34. S.-R Chong and F. Hirata, in preparation.
35. A. Yoshimori, Chem. Phys. Lett. 225, 494 (1994).