The dielectric continuum solvent model adapted for treating preferential solvation effects

Journal of Electroanalytical Chemistry

Volumn 660, Issue 2, 2011, Pages 339-346

  Basilevsky, M V ^a   Odinokov, A V ^a   Nikitina, E A ^b   Petrov, N Ch ^a  

^a PHOTOCHEMISTRY CENTER   (Russian Federation)

^b INSTITUTE OF APPLIED MECHANICS   (Russian Federation)

Author keywords

Dielectric continuum model; Non local electrostatics; Potential of mean force; Preferential solvation; Solvation theory

Indexed keywords

BENZENE; BINARY MIXTURES; CONTINUUM MECHANICS; ELECTROSTATICS; SOLVATION; SOLVENTS;

DIELECTRIC CONTINUUM MODEL; NONLOCAL; POTENTIAL OF MEAN FORCE; PREFERENTIAL SOLVATION; SOLVATION THEORY;

COMPUTER SIMULATION;

EID: 80053112954     PISSN: 15726657     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jelechem.2010.09.022     Document Type: Article

References (61)

1. F. Cichos, R. Brown, V. Rempel, and C. von Borczyskowski J. Phys. Chem. A 103 1999 2506
2. T.J.F. Day, and G.N. Patey J. Chem. Phys. 106 1997 2782
3. T.J.F. Day, and G.N. Patey J. Chem. Phys. 110 1999 10937
4. A. Yoshimori, T.J.F. Day, and G.N. Patey J. Chem. Phys. 108 1998 6378
5. A. Yoshimori, T.J.F. Day, and G.N. Patey J. Chem. Phys. 109 1998 3222
6. D. Laria, and M.S. Skaf J. Chem. Phys. 111 1999 300
7. B.M. Ladanyi, and B.-C. Perng J. Phys. Chem. A 106 2002 6922
8. S. Chowdhuri, and A. Chandra J. Chem. Phys. 119 2003 4360
9. J. Heller, H. Elgabarty, B. Zhuang, D. Sebastian, and D. Hinderberger J. Phys. Chem. B 114 2010 1783
10. G. Salieli, and A. Baguo Phys. Chem. Chem. Phys. 12 2010 2981
11. M. Basilevsky, A. Odinokov, E. Nikitina, F. Grigoriev, N. Petrov, and M. Alfimov J. Chem. Phys. 130 2009 024504
12. A. Chandra, and B. Bagchi J. Chem. Phys. 94 1991 8367
13. A. Chandra Chem. Phys. Lett. 235 1995 133
14. P. Suppan J. Photochem. Photobiol. A 50 1990 293
15. C. Lerf, and P. Suppan J. Chem. Soc. Faraday Trans. I 88 1992 963
16. P. Suppan J. Chem. Soc. Faraday Trans. I 83 1987 495
17. M. Khajehpour, and J.F. Kauffman J. Phys. Chem. A 104 2000 7151
18. M. Khajehpour, C.M. Welch, K.A. Kleiner, and J.F. Kauffman J. Phys. Chem. A 105 2001 5372
19. M. Basilevsky, A. Odinokov, E. Nikitina, F. Grigoriev, N. Petrov, and M. Alfimov J. Chem. Phys. 130 2009 024505
20. M.V. Basilevsky, F.V. Grigoriev, E.A. Nikitina, and J. Leszczynski J. Phys. Chem. B 114 2010 2457
21. Yu.I. Kharkats, A.A. Kornyshev, and M.A. Vorotyntsev J. Chem. Soc. Faraday Trans. II 72 1976 361
22. A.A. Kornyshev, and M.A. Vorotyntsev The Electrostatics of the Media with Spatial Dispersion 1993 Nauka Moscow
23. J. Tomasi, B. Mennucci, and R. Cammi Chem. Rev. 105 2005 2999
24. G.A. Korn, and T.M. Korn Mathematical Handbook for Scientists and Engineers 1968 Mc Graw-Hill New York (Section 5.7-3)
25. M.V. Basilevsky, F.V. Grigoriev, and O.Yu. Kupervasser J. Phys. Chem. B 2010 10.1021/jp103239g
26. A.A. Kornyshev R.R. Dogonadze, E. Kalman, A.A. Kornyshev, J. Ulstrup, Chemical Physics of Solvation, Part A 1985 Elsevier Amsterdam 77 (Chapter 3)
27. M.V. Basilevsky, and G.N. Chuev B. Mennucci, R. Cammi, Continuum Solvation Models in Chemical Physics 2007 Willey Chichester, UK 94 (Chapter 1.6)
28. A.V. Odinokov, I.V. Leontyev, M.V. Basilevsky, and N.Ch. Petrov Mol. Phys. 2010 10.1080/00268976.2010.515259
29. M. Orozco, and F.J. Luque Chem. Rev. 100 2000 4187
30. W. Liu, R.H. Wood, and D.J. Doren J. Chem. Phys. 118 2003 2837
31. I.V. Kharvrutski, J. Dzubiella, and J.A. McCammon J. Chem. Phys. 128 2008 044106
32. B. Gu, F.S. Zhang, Z.P. Zhang, and H.Y. Zhou J. Chem. Phys. 129 2008 184505
33. A.K. Das, and B.L. Tembe J. Chem. Phys. 111 1999 7526
34. M. Madhusoodanan, and B.L. Tembe J. Phys. Chem. 98 1994 7090
35. D.H. Peslherbe, B.M. Ladanyi, and J.T. Hynes J. Phys. Chem. A 104 2004 4533
36. L. Degreve, and F.L.B. da Silva J. Mol. Liq. 87 2000 217
37. A. Kovalenko, and F. Hirata J. Chem. Phys. 112 2000 10391
38. A. Kovalenko, and F. Hirata J. Chem. Phys. 112 2000 10403
39. H. Satoh, H.S. Hansen, S. Manabe, W.F. van Gunsteren, and P.H. Huneberger J. Chem. Theory Comput. 6 2010 1783
40. E. Guardia, R. Rey, and J.A. Padro Chem. Phys. 155 1991 187
41. L.X. Dang J. Chem. Phys. 97 1992 1919
42. D.E. Smith, and L.X. Dang J. Chem. Phys. 100 1992 3757
43. R. Rey, and E. Guardia J. Phys. Chem. 96 1992 96
44. E. Guardia, and J.A. Padro J. Chem. Phys. 104 1996 7219
45. K. Miyazaki, and M. Tachiya J. Chem. Phys. 109 1998 7424
46. C.J. Cramer, and D.G. Truhlar Chem. Rev. 99 1999 2161
47. N.A. Baker K.B. Lipkovitz, R. Larter, T.R. Cundari, Reviews in Computational Chemistry vol. 21 2005 Wiley New York 349
48. B.Z. Lu, Y.C. Zhou, M.J. Holst, and J.A. McCammon Commun. Comput. Phys. 3 2008 973
49. V.M. Agranovich, and V.L. Ginzburg Spatial Dispersion in Crystal Optics and Theory of Excitons 1966 Interscience London
50. R.R. Dogonadze, A.A. Kornyshev, and A.M. Kuznetsov Theor. Math. Phys. (USSR) 15 1973 407
51. R.R. Dogonadze, and A.A. Kornyshev J. Chem. Soc. Faraday Trans. 2 70 1974 1121
52. A.A. Kornyshev Electrochim. Acta 26 1981 1
53. P.A. Bopp, A.A. Kornyshev, and G. Sutmann Phys. Rev. Lett. 76 1996 1280
54. P.A. Bopp, A.A. Kornyshev, and G. Sutmann J. Chem. Phys. 109 1998 1939
55. M.V. Fedorov, and A.A. Kornyshev Mol. Phys. 105 2007 1
56. A.A. Kornyshev, and G. Sutmann J. Chem. Phys. 104 1996 1524
57. M.V. Basilevsky, and D.F. Parsons J. Chem. Phys. 108 1998 9107
58. A.A. Kornyshev, A.I. Rubinshtein, and M.A. Vorotyntsev J. Phys. C 11 1978 3307
59. M.V. Basilevsky, and D.F. Parsons J. Chem. Phys. 105 1996 3734
60. X. Song, and D. Chandler J. Chem. Phys. 108 1998 2594
61. M.A. Vorotyntsev J. Phys. C 11 1978 3323