Effect of short and long range forces on the structure of water. II. Orientational ordering and the dielectric constant

Molecular Physics

Volumn 98, Issue 19, 2000, Pages 1505-1520

  Kolafa, J ^a   Nezbeda, I ^a,b  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b J E PURKINJE UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PERMITTIVITY; POLYNOMIALS; TEMPERATURE; VECTORS;

DIPOLE DIPOLE CORRELATION FUNCTION; EWALD SUMMATION; FULL PAIR CORRELATION FUNCTION; ORIENTATIONAL ORDERING; RADIAL KIRKWOOD FACTOR; SITE SITE CORRELATION FUNCTION;

WATER;

EID: 0034634019     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970009483356     Document Type: Article

References (30)

1. Franks, F., 1972-1982. Water, A Comprehensive Treatise Vol. 1–7, New York:Plenum Press.
2. Franks, F., 1985. Water Science Review Vol. 1, Cambridge University Press.
3. Chialvo, A. A., Cummings, P. T., Simonson, J. M., Mesmer, R. E., and Cochran, H. D., 1998. Ind. Eng. Chem. Res., 37:3021
4. Chialvo, A. A., and Cummings, P. T., 1999. Adv. chem. Phys., 109:115
5. Gray, C. G., and Gubbins, K. E., 1984. Theory of Molecular Fluids Vol. 1, Oxford:Clarendon Press.
6. Soper, A. K., 1994. J. chem. Phys., 101:6888
7. Svishchev, I. M., and Kusalik, P. G., 1993. J. chem. Phys., 99:3049
8. Kusalik, P. G., and Svishchev, I. M., 1994. Science, 265:1219
9. De Santis, A., and Rocca, D., 1997. J. chem. Phys., 107:9559
10. De Santis, A., and Rocca, D., 1997. J. chem. Phys., 107:10096
11. Lazaridis, T., and Karplus, M., 1996. J. chem. Phys., 105:4294
12. Ramshaw, J. D., Schaffer, D. W., Waugh, J. S., and Deutch, J. M., 1971. J. chem. Phys., 54:1239
13. Speedy, R., 1984. J. phys. Chem., 88:3364
14. Stillinger, F. H., 1975. Adv. chem. Phys., 31:1
15. Nezbeda, I., and Kolafa, J., 1999. Molec. Phys., 97:1105
16. Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., and Klein, M. L., 1983. J. chem. Phys., 79:926
17. Stillinger, F. H., and Rahman, A., 1974. J. chem. Phys., 60:1545
18. Steinhauser, O., 1982. Molec. Phys., 45:335
19. Kirkwood, J. G., 1939. J. chem. Phys., 7:911
20. Neumann, M., 1986. J. chem. Phys., 85:1567
21. Alper, H. E., and Levy, R. M., 1989. J. chem. Phys., 91:1242
22. Perram, J. W., and Smith, E. R., 1987. J. statist. Phys., 46:179
23. Fröhlich, H., 1958. Theory of Dielectrics Oxford:Clarendon Press.
24. Deutch, J. M., 1973. Ann. Rev. Phys. Chem., 24:301
25. Allen, M. P., and Tildesley, D. J., 1987. The Computer Simulation of Liquids Oxford:Clarendon Press.
26. Flyvbjerg, H., and Petersen, H. G., 1989. J. chem. Phys., 91:461
27. Straatsma, T. P., Berendsen, H. J. C., and Stam, A. J., 1986. Molec. Phys., 57:89
28. Eisenberg, D., and Kauzmann, W., 1969. The structure and properties of water Oxford University Press.
29. Strauch, H. J., and Cummings, P. T., 1989. Molec. Simulation, 2, 89.
30. Gordon, H., and Goldman, S., 1989. Molec. Simulation, 2:177