Stability of the cubic water octamer

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 67, Issue 6, 2003, Pages 632061-632067

  Belair, Stephen D ^a   Francisco, Joseph S ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; ENTROPY; HYDROGEN BONDS; OPTIMIZATION;

CUBIC WATER OCTAMER;

MOLECULAR PHYSICS;

EID: 0041977271     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (34)

1. For an example with an empirical potential, see D. J. Wales and M. P. Hodges, Chem. Phys. Lett. 286, 65 (1998); for an example with quantum optimizations, see C. Lee, H. Chen, and G. Fitzgerald, J. Chem. Phys. 102, 1266 (1995).
2. For an example with an empirical potential, see D. J. Wales and M. P. Hodges, Chem. Phys. Lett. 286, 65 (1998); for an example with quantum optimizations, see C. Lee, H. Chen, and G. Fitzgerald, J. Chem. Phys. 102, 1266 (1995).
3. K. Liu, M. G. Brown, C. Carter, R. J. Saykally, J. K. Gregory, and D. C. Clary, Nature (London) 381, 501 (1996).
4. H. Kistenmacher, G. C. Lie, H. Popkie, and E. Clementi, J. Chem. Phys. 61, 546 (1974).
5. F. H. Stillinger and C. W. David, J. Chem. Phys. 73, 3384 (1980).
6. G. Brink and L. Glasser, J. Phys. Chem. 88, 3412 (1984).
7. O. Matsuoka, E. Clementi, and M. Yoshimine, J. Chem. Phys. 64, 1351 (1976).
8. K. S. Kim, M. Dupuis, G. C. Lie, and E. Clementi, Chem. Phys. Lett. 131, 451 (1986).
9. C. J. Tsai and K. D. Jordan, J. Chem. Phys. 95, 3850 (1991).
10. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
11. The original papers are D. R. Hartree, Proc. Cambridge Philos. Soc. 24, 89 (1928); V. Fock, Z. Phys. 61, 126 (1930); J. C. Slater, Phys. Rev. 35, 210 (1930). For a more modern review, see S. M. Blinder, Am. J. Phys. 33, 431 (1965).
12. The original papers are D. R. Hartree, Proc. Cambridge Philos. Soc. 24, 89 (1928); V. Fock, Z. Phys. 61, 126 (1930); J. C. Slater, Phys. Rev. 35, 210 (1930). For a more modern review, see S. M. Blinder, Am. J. Phys. 33, 431 (1965).
13. The original papers are D. R. Hartree, Proc. Cambridge Philos. Soc. 24, 89 (1928); V. Fock, Z. Phys. 61, 126 (1930); J. C. Slater, Phys. Rev. 35, 210 (1930). For a more modern review, see S. M. Blinder, Am. J. Phys. 33, 431 (1965).
14. The original papers are D. R. Hartree, Proc. Cambridge Philos. Soc. 24, 89 (1928); V. Fock, Z. Phys. 61, 126 (1930); J. C. Slater, Phys. Rev. 35, 210 (1930). For a more modern review, see S. M. Blinder, Am. J. Phys. 33, 431 (1965).
15. C. J. Tsai and K. D. Jordan, J. Phys. Chem. 97, 5208 (1993).
16. C. Moller and M. S. Plesset, Phys. Rev. 46, 618 (1934); J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem., Quantum Chem. Symp. 11, 149 (1977); R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
17. C. Moller and M. S. Plesset, Phys. Rev. 46, 618 (1934); J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem., Quantum Chem. Symp. 11, 149 (1977); R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
18. C. Moller and M. S. Plesset, Phys. Rev. 46, 618 (1934); J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem., Quantum Chem. Symp. 11, 149 (1977); R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
19. A. M. Ferrari, E. Garrone, and P. Ugliengo, Chem. Phys. Lett. 212, 644 (1993).
20. J. O. Jensen, P. N. Krishnan, and L. A. Burke, Chem. Phys. Lett. 246, 13 (1995).
21. S. McDonald, L. Ojamäe, and S. J. Singer, J. Phys. Chem. A 102, 2824 (1998).
22. L. Ojamäe, I. Shavitt, and S. Singer, J. Chem. Phys. 109, 5547 (1998).
23. U. Buck, I. Ettischer, M. Melzer, V. Buch, and J. Sadlej, Phys. Rev. Lett. 80, 2578 (1998).
24. P. Nigra, M. A. Carignano, and S. Kais, J. Chem. Phys. 115, 2621 (2001).
25. C. J. Tsai and K. D. Jordan, J. Chem. Phys. 95, 3850 (1991).
26. J. M. Pedulla and K. D. Jordan, Chem. Phys. 239, 593 (1998).
27. H. M. Lee and K. S. Kim, J. Chem. Phys. 117, 706 (2002).
28. C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, S. Y. Fredericks, and K. D. Jordan, Science 276, 1678 (1997).
29. A. Maiti, J. Andzelm, N. Tanpipat, and P. von Allmen, Phys. Rev. Lett. 87, 155502 (2001).
30. P. V. Hobbs, Ice Physics (Oxford University Press, New York, 1974).
31. M. J. Frisch et al., Computer code GAUSSIAN 98, Rev. A.11.3, Gaussian, Inc., Pittsburgh, PA, 2002.
32. K. Kim and K. D. Jordan, J. Phys. Chem. 98, 10 089 (1994).
33. C. J. Burnham, S. S. Xantheas, M. A. Miller, B. E. Applegate, and R. E. Miller, J. Chem. Phys. 117, 1109 (2002).
34. J. Kim, B. J. Mhin, S. J. Lee, and K. S. Kim, Chem. Phys. Lett. 219, 243 (1994).