An advanced continuum medium model for treating solvation effects: Nonlocal electrostatics with a cavity

Journal of Chemical Physics

Volumn 105, Issue 9, 1996, Pages 3734-3746

  Basilevsky, M V ^a   Parsons, D F ^a  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84962362083     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472193     Document Type: Article

References (76)

1. J. Tomasi and M. Persico, Chem. Rev. 94, 2027 (1994).
2. S. Miertuš, E. Scrocco, and J. Tomasi, Chem. Phys. 55, 117 (1981).
3. R. A. Marcus, J. Chem. Phys. 24, 969, 977 (1956).
4. R. A. Marcus and N. Sutin, Biochem. Biophys. Acta. 811, 265 (1985).
5. V. G. Levich and R. R. Dogonadze, Dokl. Akad. Hayk SSSR. 124, 123 (1959) (in Russian).
6. V. G. Levich, Adv. Electrochem. Eng. 4, 249 (1965).
7. A. A. Ovchinnikov and M. Ya. Ovchinnikova, Sov. Phys. JETP. 56, 1278 (1969) (in Russian).
8. R. R. Dogonadze and A. M. Kuznetsov, Elektrokhim (Russian) 7, 763 (1971).
9. R. R. Dogonadze and A. A. Kornyshev, Phys. Status Solidi. B 53, 439 (1972).
10. L. D. Zusman, Chem. Phys. 40, 295 (1980).
11. I. V. Aleksandrov, Chem. Phys. 51, 449 (1980).
12. M. Ya. Ovchinnikova, Khim. Fiz. 4, 3 (1985) (in Russian).
13. J. T. Hynes, J. Phys. Chem. 90, 5701 (1986).
14. M. Sparpaglione and S. Mukamel, J. Chem. Phys. 88, 3263 (1988).
15. M. V. Basilevsky and G. E. Chudinov, Mol. Phys. 65, 1121 (1988).
16. H. J. Kim and J. T. Hynes, J. Chem. Phys. 93, 5194, 5211 (1990).
17. M. V. Basilevsky and G. E. Chudinov, Chem. Phys. 157, 345 (1991).
18. M. V. Basilevsky, G. E. Chudinov, and M. D. Newton, Chem. Phys. 179, 263 (1994).
19. M. Maroncelli and G. R. Fleming, J. Chem. Phys. 89, 5044 (1988).
20. A. O. Karim, A. D. J. Haymet, M. J. Banet, and J. D. Simon, J. Phys. Chem. 92, 3391 (1988).
21. J. S. Bader and D. Chandler, Chem. Phys. Lett. 157, 501 (1989).
22. M. Maroncelli, J. Chem. Phys. 94, 2084 (1991).
23. R. M. Levy, D. B. Kitchen, J. T. Blair, and K. J. Krogh-Jespersen, J. Phys. Chem. 94, 4470 (1990).
24. T. Fonseca and B. Ladanyi, J. Phys. Chem. 95, 2116 (1991).
25. E. A. Carter and J. T. Hynes, J. Chem. Phys. 94, 5961 (1991).
26. M. Bruehl and J. T. Hynes, J. Phys. Chem. 96, 4068 (1992).
27. L. Perera and M. Berkowitz, J. Chem. Phys. 96, 3092 (1992).
28. E. Neria and A. Nitzan, J. Chem. Phys. 96, 5433 (1992).
29. J. Cao and B. Berne, J. Chem. Phys. 99, 6998 (1993).
30. B. B. Smith, A. Staib, and J. T. Hynes, Chem. Phys. 176, 521 (1993).
31. M. S. Skaf and B. M. Ladanyi, J. Chem. Phys. 102, 6542 (1995).
32. H. L. Friedman, A Course in Statistical Mechanics (Prentice-Hall, Englewood Cliffs, NJ, 1985).
33. T. Keyes and D. Kivelson, J. Chem. Phys. 56, 1057 (1972).
34. P. Madden and D. Kivelson, Adv. Chem. Phys. 56, 467 (1984).
35. D. E. Sullivan and J. M. Deutch, J. Chem. Phys. 62, 2130 (1975).
36. G. Stell, G. N. Patey, and J. S. Hoye, Adv. Chem. Phys. 48, 183 (1981).
37. D. Wei and G. N. Patey, J. Chem. Phys. 91, 7113 (1989).
38. D. Wei and G. N. Patey, J. Chem. Phys. 93, 1399 (1990).
39. R. F. Loring and S. Mukamel, J. Chem. Phys. 87, 1272 (1987).
40. F. D. Raineri, H. Resat, and H. L. Friedman, J. Chem. Phys. 96, 3068 (1992).
41. F. D. Raineri and H. L. Friedman, J. Chem. Phys. 98, 8910 (1993).
42. D. F. Calef and P. G. Wolynes, J. Chem. Phys. 78, 4145 (1983).
43. B. Bagchi, Annu. Rev. Phys. Chem. 40, 115 (1989).
44. B. Bagchi and A. Chandra, Adv. Chem. Phys. 80, 1 (1991).
45. A. Chandra and B. Bagchi, J. Phys. Chem. 93, 6696 (1989).
46. A. Chandra and B. Bagchi, J. Chem. Phys. 90, 1832 (1989).
47. A. Chandra and B. Bagchi, J. Chem. Phys. 91, 3056 (1989).
48. A. Chandra, D. Wei, and G. N. Patey, J. Chem. Phys. 99, 4926 (1993).
49. S. Roy, B. Bagchi, Chem. Phys. 183, 207 (1994).
50. F. O. Raineri, H. Resat, B.-C. Perng, F. Hirata, and H. L. Friedman, J. Chem. Phys. 100, 1477 (1994).
51. F. O. Raineri, B.-C. Perng, and H. L. Friedman, Chem. Phys. 183, 187 (1994).
52. P. G. Wolynes, J. Chem. Phys. 86, 5133 (1987).
53. I. Rips, J. Klafter, and J. Jortner, J. Chem. Phys. 88, 3246 (1988).
54. P. F. Barbara and W. Jarzeba, Adv. Photochem. 15, 1 (1990).
55. R. Loring, J. Phys. Chem. 94, 513 (1990).
56. N. E. Shemetulskis and R. Loring, J. Chem. Phys. 95, 4756 (1991).
57. D. Matyushov, Chem. Phys. 174, 199 (1993).
58. D. Matyushov and R. Schmid, J. Phys. Chem. 98, 5152 (1994).
59. M. V. Basilevsky, G. E. Chudinov, I. V. Rostov, Y-P. Liu, and M. D. Newton, Theochem (in press).
60. A. A. Kornyshev, in The Chemical Physics of Salvation, Part A, edited by R. R. Dogonadze, E. Kalman, A. A. Kornyshev, and J. Ulstrup (Elsevier, Amsterdam, 1985), p. 77.
61. R. R. Dogonadze and T. A. Marsagishvili, in Ref. 60, p. 39.
62. M. A. Vorontyntsev and A. A. Kornyshev, Electrostatics of a medium with the spatial dispersion (Nauka, Moscow, 1993) (in Russian).
63. R. R. Dogonadze and A. A. Kornyshev, J. Chem. Soc. Faraday Trans. 2 70, 1121 (1974).
64. R. Courant, Partial Differential Equations (Interscience, New York, 1962).
65. S. G. Mikhlin, Linear partial differential equations (Vysshaya shkola, Moscow 1977) (in Russian).
66. R. G. Newton, Scattering theory of waves and particles (McGraw-Hill, New York 1966).
67. M. V. Basilevsky and G. E. Chudinov, Chem. Phys. 157, 327 (1991).
68. L. Blum, J. Chem. Phys. 61, 2129 (1974).
69. D. Y. C. Chan, D. J. Mitchell, and B. W. Ninham, J. Chem. Phys. 70, 2946 (1979).
70. L. Blum and W. R. Fawcett, J. Phys. Chem. 96, 408 (1992).
71. Y. Marcus, M. J. Kamlet, and R. W. Taft, J. Phys. Chem. 92, 3613 (1988).
72. B. S. Gourari and F. J. Holden, Solid State Phys. 10, 127 (1960).
73. Attard, D. Wei, and G. N. Patey, Chem. Phys. Lett. 172, 69 (1990).
74. P. A. Bopp, A. A. Kornyshev, and G. Sutmann, Phys. Rev. Lett. 76, 280 (1996).
75. A. A. Kornyshev and G. Sutmann, J. Chem. Phys. 104, 1524 (1996).
76. C. Reichardt, Solvents and Solvent Effects in Organic Chemistry (VCH, Weinheim, 1988).