Unit cells for the simulation of hexagonal ice

Journal of Chemical Physics

Volumn 106, Issue 4, 1997, Pages 1518-1529

  Hayward, J A ^a   Reimers, J R ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001691292     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473300     Document Type: Article

References (30)

1. M. Matsumoto and Y. Kataoka, J. Chem. Phys. 88, 3233 (1988).
2. O. A. Karim and A. D. J. Haymet, J. Chem. Phys. 89, 6889 (1988).
3. G.-J. Kroes, Surf. Sci. 275, 365 (1992).
4. H. Nada and Y. Furukawa, Jpn. J. Appl. Phys. 34, 583 (1995).
5. J. D. Bernal and R. H. Fowler, J. Chem. Phys. 1, 515 (1933).
6. W. F. Kuhs and M. S. Lehmann, in Water Science Reviews 2, edited by F. Franks (Cambridge University Press, Cambridge, 1986).
7. A. Rahman and F. H. Stillinger, J. Chem. Phys. 57, 4009 (1972).
8. E. Cota and W. G. Hoover, J. Chem. Phys. 67, 3839 (1977).
9. P. W. Deutsch, B. N. Hale, R. C. Ward, and D. A. Reago Jr., J. Chem. Phys. 78, 5103 (1983).
10. R. E. Kozack and P. C. Jordan, J. Chem. Phys. 96, 3120 (1992).
11. A. D. J. Haymet (private communication).
12. H. Gai, G. K. Schenter, and B. C. Garrett, J. Chem. Phys. 104, 680 (1996).
13. K. Smimaoka, J. Phys. Soc. Jpn. 15, 106 (1960).
14. M. D. Morse and S. A. Rice, J. Chem. Phys. 76, 650 (1982).
15. B. J. Yoon, K. Morokuma, and E. R. Davidson, J. Chem. Phys. 83, 1223 (1983).
16. E. R. Davidson and K. Morokuma, J. Chem. Phys. 81, 3741 (1984).
17. A. J. Leadbetter, R. C. Ward, J. W. Clark, P. A. Tucker, T. Matsuo, and H. Suga, J. Chem. Phys. 82, 424 (1985).
18. M. Marchi, J. S. Tse, and M. L. Klein, J. Chem. Phys. 85, 2414 (1986).
19. J. R. Reimers and R. O. Watts, Chem. Phys. 85, 83 (1984).
20. D. F. Coker, R. E. Miller, and R. O. Watts, J. Chem. Phys. 82, 3554 (1985).
21. R. H. Page, J. G. Frey, Y. R. Shen, and Y. T. Lee, Chem. Phys. Lett. 106, 373 (1984).
22. C. Lee, H. Chen, and G. Fitzgerald, J. Chem. Phys. 102, 1266 (1995).
23. S. S. Xantheas, J. Chem. Phys. 102, 4505 (1995).
24. A. Khan. Chem. Phys. Lett. 253, 299 (1996).
25. A. D. Buckingham, Quart. Rev. 13, 193 (1959).
26. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
27. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
28. J. R. Reimers, R. O. Watts, and M. L. Klein, Chem. Phys. 64, 95 (1982).
29. E. Whalley, in Physics and Chemistry of Ice, edited by E. Whalley, S. J. Jones, and L. W. Gold (Royal Society of Canada, Ottawa, 1993).
30. See AIP Document No. E-PAPS: E-JCPSA-106-1518 for 1 file of coordinates of ice-1h lattices which has been filed electronically in ASCII. E-PAPS document files may be retrieved free of charge from our FTP server (http://www.aip.org/epaps/epaps.html). For further information: e-mail: paps@aip.org or fax: 516-576-2223.