Effects of the polarizability and water density constraint on the structure of water near charged surfaces: Molecular dynamics simulations

Journal of Chemical Physics

Volumn 112, Issue 23, 2000, Pages 10491-10495

  Yeh, In Chul ^a   Berkowitz, Max L ^a  

^a The University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL FLUID DYNAMICS; COMPUTER SIMULATION; CONSTRAINT THEORY; FLOW OF WATER; HYDROPHOBICITY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POLARIZATION;

POLARIZABLE POINT CHARGE MODELS; SIMPLE POINT CHARGE MODELS;

FLUID STRUCTURE INTERACTION;

EID: 0033718844     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481683     Document Type: Article

References (22)

1. I.-C. Yeh, L. Perera, and M. L. Berkowitz, Chem. Phys. Lett. 264, 31 (1997).
2. A. Wallqvist, Chem. Phys. Lett. 165, 437 (1990).
3. S.-B. Zhu and G. W. Robinson, J. Chem. Phys. 94, 1403 (1991).
4. A. Kohlmeyer, W. Witschel, and E. Spohr, Chem. Phys. 213, 211 (1996).
5. S. W. Rick, S. J. Stuart, and B. J. Berne, J. Chem. Phys. 101, 6141 (1994).
6. W. L. Jorgensen, J. CHandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
7. T.-M. Chang and L. X. Dang, J. Chem. Phys. 104, 6772 (1996).
8. K. A. Motakabbir and M. L. Berkowitz, Chem. Phys. Lett. 176, 61 (1991).
9. L-C. Yeh and M. L. Berkowitz, J. Chem. Phys. 111, 3155 (1999).
10. L. X. Dang, J. E. Rice, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 113, 2481 (1991).
11. P. G. Kusalik and I. M. Svishchev, Science 265, 1219 (1994).
12. I. M. Svishchev, P. G. Kusalik, J. Wang, and R. J. Boyd, J. Chem. Phys. 105, 4742 (1996).
13. M. Toney, J. N. Howard, J. Richer, G. L. Borges, J. G. Gordon, O. R. Melroy, D. G. Wiesler, D. Yee, and L. B. Sorensen, Nature (London) 368, 444 (1994).
14. M. Toney, J. N. Howard, J. Richer, G. L. Borges, J. G. Gordon, O. R. Melroy, D. G. Weisler, D. Yee, and L. B. Sorensen, Surf. Sci. 335, 326 (1995).
15. C. J. F. Böttcher, Theory of Electric Polarization (Elsevier, Amsterdam, 1973).
16. I. Danielewicz-Ferchmin and A. R. Ferchmin, J. Phys. Chem. 100, 17281 (1996).
17. X. Xia and M. L. Berkowitz, Phys. Rev. Lett. 74, 3193 (1994).
18. J. Shelley, G. Patey, D. Bérard, and G. Torrie, J. Chem. Phys. 107, 2122 (1997).
19. I.-C. Yeh and M. L. Berkowitz, Chem. Phys. Lett. 301, 81 (1999).
20. C. Y. Lee, J. A. McCammon, and P. J. Rossky, J. Chem. Phys. 80, 4448 (1984).
21. H. Berendsen, J. Grigera, and T. Straatsma, J. Phys. Chem. 91, 6269 (1987).
22. J. Halley, A. Mazzolo, Y. Zhou, and D. Price, J. Electroanal. Chem. 450, 273 (1998).