On rotational dynamics of an NH4+ ion in water

Journal of Chemical Physics

Volumn 118, Issue 19, 2003, Pages 8813-8820

  Chang, Tsun Mei ^a   Dang, Liem X ^b  

^a UNIVERSITY OF WISCONSIN PARKSIDE   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFUSION; FUNCTIONS; HYDRATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULES; NUCLEAR MAGNETIC RESONANCE; POSITIVE IONS; THERMODYNAMIC PROPERTIES; VELOCITY; WATER;

ANGULAR MOMENTUM; DYNAMICAL PROPERTIES; HYDRATION SHELLS; MOLECULAR DYNAMIC SIMULATION; MOLECULAR INTERACTIONS; REORIENTATION AUTOCORRELATION FUNCTION; ROTATIONAL DYNAMICS;

AMMONIA;

EID: 0038544194     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1566435     Document Type: Article

References (28)

1. R. W. Impey, P. A. Madden, and I. R. McDonald, J. Phys. Chem. 87, 5071 (1983).
2. H. L. Nguyen and S. A. Adelman, J. Chem. Phys. 81, 4564 (1984).
3. O. A. Karim and A. D. J. Haymet, J. Chem. Phys. 93, 5961 (1990).
4. S. H. Lee and J. C. Rasaiah, J. Phys. Chem. 100, 1420 (1996).
5. M. R. Reddy and M. Berkowitz, J. Chem. Phys. 88, 7104 (1988).
6. C. L. Perrin and R. K. Gipe, J. Am. Chem. Soc. 108, 1088 (1986).
7. C. L. Perrin and R. K. Gipe, Science 238, 1393 (1987).
8. G. Szasz, W. O. Riede, and K. Heinzinger, Z. Naturforsch. A 34, 1083 (1979).
9. F. Bruge, M. Bernasconi, and M. Parrinello, J. Am. Chem. Soc. 121, 10883 (1999).
10. W. L. Jorgensen and J. Gao, J. Phys. Chem. 90, 2174 (1986).
11. F. Bruge, M. Bernasconi, and M. Parrinello, J. Chem. Phys. 110, 4734 (1999).
12. L. X. Dang, Chem. Phys. Lett. 213, 541 (1993).
13. E. Kassab, E. M. Evleth, and Z. D. Hamou-Tahra, J. Am. Chem. Soc. 112, 103 (1990).
14. L. X. Dang and T.-M. Chang, J. Chem. Phys. 106, 8149 (1997).
15. J. Applequist, J. R. Carl, and K.-K. Fung, J. Am. Chem. Soc. 94, 2952 (1972).
16. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
17. M. Meot-Ner, J. Am. Chem. Soc. 106, 1265 (1984).
18. M. Meot-Ner and C. V. Speller, J. Phys. Chem. 90, 6616 (1986).
19. J. D. Payzant, A. J. Cunningham, and P. Kebarle, Can. J. Chem. 51, 3242 (1973).
20. J. Ryckaet, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
21. J. C. Jiang, H.-C. Chang, Y. T. Lee, and S. H. Lin, J. Phys. Chem. 103, 3123 (1999).
22. G. Palinkas, T. Radnai, Gy. Szasz, and K. Heinzinger, J. Chem. Phys. 74, 3522 (1981).
23. E. M. Arnett, F. M. Jones, M. Taagepera, W. G. Henderson, J. L. Beauchamp, D. Holta, and R. W. Taft, J. Am. Chem. Soc. 94, 4724 (1972).
24. B. J. Berne and G. D. Harp, Adv. Chem. Phys. 17, 63 (1970).
25. D. A. McQuarrie, Statistical Mechanics (Harper and Row, New York, 1976).
26. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).
27. B. F. Wishaw and R. H. Stokes, J. Am. Chem. Soc. 76, 2065 (1954).
28. Gy. I. Szasz and K. Heinzinger, Z. Naturforsch. A 34a, 840 (1979).