Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions

Journal of Chemical Physics

Volumn 107, Issue 16, 1997, Pages 6342-6348

  Spohr, E ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001372160     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474295     Document Type: Article

References (45)

1. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University Press, New York, 1987).
2. R. Haberlandt, S. Fritzsche, G. Peinel, and K. Heinzinger, Molekulardynamik. Grundlagen und Anwendungen (Vieweg Braunschweig, Wiesbaden, 1995).
3. C. G. Gray, Y. S. Sainger, C. G. Joslin, P. T. Cummings, and S. Goldman, J. Chem. Phys. 85, 1502 (1986).
4. P. Linse and H. C. Andersen, J. Chem. Phys. 85, 3027 (1986).
5. J. A. Barker, Mol. Phys. 83, 1057 (1994).
6. L. Perera, U. Essmann, and M. L. Berkowitz, J. Chem. Phys. 102, 450 (1995).
7. J. E. Roberts and J. Schnitker, J. Phys. Chem. 99, 1322 (1995).
8. K. Esselink, Comput. Phys. Commun. 87, 375 (1995).
9. J. D. Madura and B. M. Pettitt, Chem. Phys. Lett. 150, 105 (1988).
10. C. L. Brooks III, B. M. Pettitt, and M. Karplus, J. Chem. Phys. 83, 5897 (1985).
11. K. Tasaki, S. Mcdonald, and J. W. Brady, J. Comput. Chem. 14, 278 (1993).
12. T. A. Andrea, W. C. Swope, and H. C. Andersen, J. Chem. Phys. 79, 4576 (1983).
13. S. E. Feller, R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks, J. Phys. Chem. 100, 17 011 (1996).
14. J. C. Shelley and G. N. Patey, Mol. Phys. 88, 385 (1996).
15. J. D. Porter and A. S. Zinn, J. Phys. Chem. 97, 1190 (1993).
16. J. Böcker, R. R. Nazmutdinov, E. Spohr, and K. Heinzinger, Surf. Sci. 335, 372 (1995).
17. E. Spohr, J. Mol. Liquids 64, 91 (1995).
18. E. Spohr, Acta Chem. Scand. 49, 189 (1995).
19. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
20. S. H. Lee and J. C. Rasaiah, J. Chem. Phys. 101, 6964 (1994).
21. R. R. Nazmutdinov, M. Probst, and K. Heinzinger, J. Electroanal. Chem. 369, 227 (1994).
22. P. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987).
23. S. Holloway and K. H. Bennemann, Surf. Sci. 101, 327 (1980).
24. H. Yang and J. L. Whitten, Surf. Sci. 223, 131 (1989).
25. M. W. Ribarsky, W. D. Luedtke, and U. Landman, Phys. Rev. B 32, 1430 (1985).
26. H. Sellers and P. V. Sudhakar, J. Chem. Phys. 97, 6644 (1992).
27. M. Rosi and C. W. Bauschlicher, Jr., J. Chem. Phys. 90, 7264 (1989).
28. D. M. Heyes, M. Barber, and J. H. R. Clarke, J. Chem. Soc. Faraday Trans. II 73, 1485 (1977).
29. Y.-J. Rhee, J. W. Halley, J. Hautmann, and A. Rahman, Phys. Rev. B 40, 36 (1989).
30. J. Hautman and M. L. Klein, Mol. Phys. 75, 379 (1992).
31. H. J. C. Berendsen, J. P. M. Postman, W. F. van Gunsteren, A. DiNola, and J. R. Maak, J. Chem. Phys. 81, 3684 (1984).
32. W. B. Streett, D. J. Tildesley, and G. Saville, Mol. Phys. 35, 639 (1978).
33. The Monte Carlo Method in Condensed Matter Physics, Vol. 71 of Topics in Applied Physics, edited by K. Binder (Springer-Verlag, Berlin, 1992).
34. I. Benjamin, J. Chem. Phys. 95, 3698 (1991).
35. M. A. Wilson and A. Pohorille, J. Chem. Phys. 95, 6005 (1991).
36. D. A. Rose and I. Benjamin, J. Chem. Phys. 95, 6956 (1991).
37. E. Spohr, Chem. Phys. Lett. 207, 214 (1993).
38. L. Perera and M. L. Berkowitz, J. Phys. Chem. 97, 13 803 (1993).
39. D. A. Rose and I. Benjamin, J. Chem. Phys. 98, 2283 (1993).
40. D. A. Rose and I. Benjamin, J. Chem. Phys. 100, 3545 (1994).
41. E. Spohr (unpublished).
42. J. N. Glosli and M. R. Philpott, J. Chem. Phys. 98, 9995 (1993).
43. J. N. Glosli and M. R. Philpott, in Microscopic Models of Electrode-Electrolyte Interfaces, edited by J. W. Halley and L. Blum (Electrochemical Society Inc., Pennington, 1993), No. 93-5, pp. 90-103.
44. M. L. Berkowitz (personal communication).
45. G. Aloisi, M. L. Foresti, R. Guidelli, and P. Barnes, J. Chem. Phys. 91, 5592 (1989).