Graph invariants for periodic systems: Towards predicting physical properties from the hydrogen bond topology of ice

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 67, Issue 1, 2003, Pages 18-

  Kuo, Jer Lai ^a   Singer, Sherwin J ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84859892530     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.67.016114     Document Type: Article

References (44)

1. L. Pauling, J. Am. Chem. Soc. 57, 2680 (1935).
2. W.F. Giauque and J.W. Stout, J. Am. Chem. Soc. 58, 1144 (1936).
3. J.D. Bernal and R.H. Fowler, J. Chem. Phys. 1, 515 (1933).
4. E.A. DiMarzio and F.H. Stillinger, J. Chem. Phys. 40, 1577 (1964).
5. J.F. Nagle, J. Math. Phys. 7, 1484 (1966).
6. R. Howe, J. Phys. (Paris) 48, C1 (1987).
7. J. Lekner, Physica B 252, 149 (1998).
8. V. Buch, P. Sandler, and J. Sadlej, J. Phys. Chem. B 102, 8641 (1998).
9. S. Kawada, J. Phys. Soc. Jpn. 32, 1442 (1972).
10. Y. Tajima, T. Matsuo, and H. Suga, Nature (London) 299, 810 (1982).
11. Y. Tajima, T. Matsuo, and H. Suga, J. Phys. Chem. Solids 45, 1135 (1984).
12. T. Matsuo, Y. Tajima, and H. Suga, J. Phys. Chem. Solids 47, 165 (1986).
13. T. Matsuo and H. Suga, J. Phys. Colloq. C1, 477 (1987).
14. R. Howe and R.W. Whitworth, J. Chem. Phys. 90, 4450 (1989).
15. S.M. Jackson, V.M. Nield, R.W. Whitworth, M. Oguro, and C.C. Wilson, J. Phys. Chem. B 101, 6142 (1997).
16. A.J. Leadbetter, R.C. Ward, J.W. Clark, P.A. Tucker, T. Matsuo, and H. Suga, J. Chem. Phys. 82, 424 (1985).
17. C.M.B. Line and R.W. Whitworth, J. Chem. Phys. 104, 10 008 (1996).
18. H. Fukazawa, S. Mae, S. Ikeda, and O. Watanabe, Chem. Phys. Lett. 294, 554 (1998).
19. G.P. Johari and S.J. Jones, J. Chem. Phys. 62, 4213 (1975).
20. M.J. Iedema, M.J. Dresser, D.L. Doering, J.B. Rowland, W.P. Hess, A.A. Tsekouras, and J.P. Cowin, J. Phys. Chem. B 102, 9203 (1998).
21. J.-L. Kuo, J.V. Coe, S.J. Singer, Y.B. Band, and L. Ojamäe, J. Chem. Phys. 114, 2527 (2001).
22. F. Harary, Michigan Math. J. 4, 221 (1957).
23. F. Harary and E. Palmer, Can. J. Math. 18, 853 (1966).
24. F. Harary, Graph Theory (Addison-Wesley, Reading, MA, 1969).
25. N. Bjerrum, Science 115, 386 (1952).
26. K.S. Pitzer and J. Polissar, J. Am. Chem. Soc. 60, 1140 (1956).
27. J.C. Li and D.K. Ross, Nature (London) 365, 327 (1993).
28. J.S. Tse and D.D. Klug, Phys. Lett. A 198, 464 (1995).
29. I. Morrison, J.-C. Li, S. Jenkins, S.S. Xantheas, and M.C. Payne, J. Phys. Chem. B 101, 6146 (1997).
30. D.J. McGinty, J. Chem. Phys. 55, 580 (1971).
31. J.J. Burton, J. Chem. Phys. 56, 3133 (1972).
32. M.R. Hoare, Adv. Chem. Phys. 40, 49 (1979).
33. F.H. Stillinger and T.A. Weber, Phys. Rev. A 25, 978 (1982).
34. F.H. Stillinger and T.A. Weber, Phys. Rev. A28, 2408 (1983).
35. P.G. Mezey, Potential Energy Hypersurfaces, Studies in Physical and Theoretical Chemistry Vol. 53 (Elsevier, New York, 1987).
36. G. Franke, E.R. Hilf, and P. Borrmann, J. Chem. Phys. 98, 3496 (1993).
37. D.J. Wales, Mol. Phys. 78, 151 (1993).
38. J.P.K. Doye and D.J. Wales, J. Chem. Phys. 102, 9659 (1995).
39. M.B. Boisen, Jr. and G.V. Gibbs, Mathematical Crystallography, 2nd ed., Reviews in Mineralogy Vol. 15 (Mineralogical Soc. of America, Washington, D.C., 1990).
40. A. Rahman and F.H. Stillinger, J. Chem. Phys. 57, 4009 (1972).
41. W.H. Bragg, Proc. Phys. Soc. London 34, 98 (1922).
42. W.H. Barnes, Proc. R. Soc. London, Ser. A 324, 127 (1929).
43. J.A. Hayward and J.R. Reimers, J. Chem. Phys. 106, 1518 (1997).
44. E. Cota and W.G. Hoover, J. Chem. Phys. 67, 3839 (1977).