Effective interaction potentials for alkali and alkaline earth metal ions in SPC/E water and polarization model of hydrated ions

Journal of Physical Chemistry B

Volumn 110, Issue 22, 2006, Pages 10888-10895

  Gavryushov, Sergei ^a  

^a ENGELHARDT INSTITUTE OF MOLECULAR BIOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; ELECTROLYTES; MACROMOLECULES; MONTE CARLO METHODS; WATER;

BILAYERS; HYDRATED IONS; INTERIONIC POTENTIALS; ION-ION INTERACTION;

ALKALINE EARTH METALS;

EID: 33745460564     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp056872a     Document Type: Article

References (38)

1. Gavryushov, S.; Linse, P. J. Phys. Chem. B, 2006, 110, 10878.
2. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
3. Aqvist, J. J. Phys. Chem. 1990, 94, 8021.
4. Smith, D. E.; Dang, L. X. J. Chem. Phys. 1994, 100, 3757.
5. Dang, L. X. J. Am. Chem. Soc. 1995, 117, 6954.
6. Dang, L. X. J. Chem. Phys. 1992, 96, 6970.
7. (a) Rasaiah, J. C.; Friedman, H. L. J. Chem. Phys. 1969, 50, 3965.
8. (b) Rasaiah, J. C.; Card, D. N.; Valleau, J. P. J. Chem. Phys. 1972, 56, 248.
9. Waisman, E. Lebowitz, J. L. J. Chem. Phys. 1972, 56, 3086.
10. (a) Blum, L. J. Mol. Phys. 1975, 30, 1529.
11. (b) Blum, L.; Høye, J. S. J. Phys. Chem. 1977, 81, 1311.
12. Sloth, P.; Sørensen, T. S. J. Phys. Chem. 1990, 94, 2116.
13. (a) Outhwaite, C. W. J. Chem. Phys. 1969, 50, 2277.
14. (b) Outhwaite, C. W. J. Chem. Soc., Faraday Trans. 2 1987, 83, 949.
15. (a) Andersen, H. C.; Chandler, D. J. Chem. Phys. 1970, 55, 547.
16. (b) Andersen, H. C.; Chandler, D. J. Chem. Phys. 1972, 57, 1918.
17. (a) Pitzer, K. S. J. Phys. Chem. 1973, 77, 268.
18. (b) Pitzer, K. S.; Mayorga, G. J. Phys. Chem. 1973, 77, 2300.
19. Kjellander, R. J. Phys. Chem. 1995, 99, 10392.
20. Nordholm, S. Aust. J. Chem. 1984, 37, 1.
21. Abbas, Z.; Gunnarsson, M.; Ahlberg, E.; Nordholm, S. J. Phys. Chem. B 2002, 106, 1403.
22. Card, D. N.; Valleau, J. P. J. Chem. Phys. 1970, 52, 6232.
23. Valleau, J. P.; Cohen, L. K.; Card, D. N. J. Chem. Phys. 1980, 72, 5942.
24. Abramo, M. C.; Caccomo, C.; Malescio, G.; Pizzimenti, G.; Rogde, S. A. J. Chem. Phys. 1984, 80, 4396.
25. Lyubartsev, A. P.; Laaksonen, A. J. Chem. Phys. 1999, 111, 11207.
26. Gavryushov, S.; Linse, P. J. Phys. Chem. B 2003, 107, 7135.
27. Hückel, E. Phys. Z. 1925, 26, 93.
28. (a) Hasted, J. B.; Ritson, D. M.; Collie, C. H. J. Chem. Phys. 1948, 16, 1.
29. (b) Buchner, R.; Hefter, G. T:; May, P. M.; J. Phys. Chem. A 1999, 103, 1.
30. Chandra, A. J. Chem. Phys. 2000, 113, 903.
31. Zasetsky, A. Yu.; Svishchev, I. M. J. Chem. Phys. 2001, 115, 1148.
32. Fawcett, W. R.; Tikanen, A. C. J. Phys. Chem. 1996, 100, 4251.
33. Electrostatic system units are used in all following equations.
34. Hill, T. L. In Statistical Mechanics; McGeaw-Hill: New York, 1956.
35. Robinson, R. A.; Stokes, R. H. J. Am Chem. Soc. 1948, 70, 1870.
36. Gavryushov, S. Zielenkiewicz, P. J. Phys. Chem B 1999, 103, 5860.
37. Gavryushov, S.; Zielenkiewicz, P. Biophys. J. 1998, 75, 2732.
38. Garnie, S. L.; Torrie, G. M. Adv. Chem. Phys. 1984, 56, 141.