Molecular dynamics study of Na+ and Cl- in methanol

Journal of Chemical Physics

Volumn 105, Issue 19, 1996, Pages 8826-8834

  Sese G ^a   Guardia E ^a   Padro J A ^b  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0008998081     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472822     Document Type: Article

References (39)

1. H. Ohtaki and T. Radnai, Chem. Rev. 93, 1157 (1993).
2. M. Matsumoto and K. E. Gubbins, J. Chem. Phys. 93, 1981 (1990).
3. J. Casulleras and E. Guàrdia, Mol. Sim. 8, 273 (1992).
4. E. Guàrdia, G. Sesé, and J. A. Padró, J. Mol. Liq. 62, 1 (1994).
5. J. Martí, J. A. Padró, and E. Guàrdia, J. Mol. Liq. 64, 1 (1995).
6. J. Chandrasekhar and W. L. Jorgensen, J. Chem. Phys. 77, 5080 (1982).
7. W. L. Jorgensen, B. Bigot, and J. Chandrasekhar, J. Am. Chem. Soc. 104, 4584 (1982).
8. R. W. Impey, M. Sprik, and M. L. Klein, J. Am. Chem. Soc. 109, 5900 (1987).
9. D. Marx, K. Heinzinger, G. Pálinkás, and I. Bakó, Z. Naturforsch. 46a, 887 (1991).
10. Y. Tamura, E. Spohr, K. Heinzinger, G. Pálinkás, and I. Bakó, Ber. Bunsenges. Phys. Chem. 96, 147 (1992).
11. M. Maroncelli and G. H. Fleming, J. Chem. Phys. 89, 5044 (1988).
12. M. Maroncelli, J. Chem. Phys. 94, 2084 (1991).
13. S. J. Rosenthal, R. Jiménez, G. R. Fleming, P. V. Kumar, and M. Maroncelli, J. Mol. Liq. 60, 25 (1994).
14. E. Guàrdia and J. A. Padró, J. Phys. Chem. 94, 6049 (1990).
15. E. Guàrdia and J. A. Padró, Mol. Sim. 17, 83 (1996).
16. W. L. Jorgensen, J. Phys. Chem. 90, 1276 (1986).
17. M. Haughney, M. Ferrario, and I. R. McDonald, J. Phys. Chem. 91, 4934 (1987).
18. J. Chandrasekhar, D. C. Spellmeyer, and W. L. Jorgensen, J. Am. Chem. Soc. 106, 903 (1984).
19. K. F. Lau, H. E. Alper, T. S. Thatcher, and T. R. Stouch, J. Phys. Chem. 98, 8785 (1994).
20. J. E. Roberts and J. Schnitker, J. Chem. Phys. 101, 5024 (1994).
21. L. Perera, U. Essman, and M. L. Berkowitz, J. Chem. Phys. 102, 450 (1995).
22. M. Neumann, O. Steinhauser, and G. S. Pawley, Mol. Phys. 68, 1067 (1984).
23. H. J. A. Berendsen, J. P. M. Postma, W. F. Van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
24. J. P. Ryckaert, in Molecular Dynamics Simulation of Statistical Mechanical Systems, edited by G. Ciccotti and W. G. Hoover (North-Holland, Amsterdam, 1986).
25. R. W. Impey, P. A. Madden, and I. R. McDonald, J. Phys. Chem. 87, 5071 (1983).
26. J. Martí, J. A. Padró, and E. Guàrdia, J. Chem. Phys. 105, 639 (1996).
27. G. A. Krestov, N. P. Novosyolov, I. S. Perelygin, A. M. Kolker, L. P. Safonova, V. D. Ovchinnikova, and V. N. Trostin, in Ionic Solvation (Ellis Horwood, Chichester, Great Britain, 1994), Chap. 5, and references therein.
28. M. Sprik, M. L. Klein, and K. Watanabe, J. Phys. Chem. 94, 6483 (1990).
29. O. Karim, Chem. Phys. Lett. 184, 560 (1991).
30. B. Guillot, P. Marteau, and J. Obriot, J. Chem. Phys. 93, 6148 (1990).
31. J. P. Hansen and I. R. McDonald, in Theory of Simple Liquids (Academic, London, 1986), Chap. 7.
32. H. G. Hertz, in Water: A Comprehensive Treatise, edited by F. Franks (Plenum, New York, 1973), Vol. 3, Chap. 7.
33. H. J. V. Tyrell and K. R. Harris, Diffusion in Liquids (Butterworths, London, 1984), Chap. 8.
34. R. L. Hurle and L. A. Woolf, Aust. J. Chem. 33, 1947 (1980).
35. E. Hawlicka, Z. Naturforsh. 41a, 939 (1986).
36. E. Guàrdia (unpublished results).
37. K. Ando and S. Kato, J. Chem. Phys. 95, 5966 (1991).
38. T. Fonseca and B. M. Ladanyi, J. Phys. Chem. 95, 2116 (1991).
39. T. Fonseca and B. M. Ladanyi, J. Mol. Liq. 60, 1 (1994).