Molecular dynamics simulation of liquid CCl4 with a new polarizable potential model

Molecular Physics

Volumn 96, Issue 7, 1999, Pages 1003-1012

  Soetens, J ^a   Jansen, G ^a   Millot, C ^b  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b Université Henri Poincaré   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85034490010     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909483042     Document Type: Article

References (35)

1. Narten, A. H., Danford, M. D., and Levy, H. A., 1967. J. chem. Phys., 46:4875
2. Egelstaff, P. A., Page, D. I., and Powles, J. G., 1971. Molec. Phys., 20:881
3. Narten, A. H., 1976. J. chem. Phys., 65:573
4. van Tricht, J. B., 1977. J. chem. Phys., 66:85
5. Nishikawa, K., Tohji, K., Shima, M., and Murata, Y., 1979. Chem. Phys. Lett., 64:154
6. Misawa, M., 1989. J. chem. Phys., 91:5648
7. García-Hernández, M., Martínez, J. L., Bermejo, F. J., Chahid, A., and Enciso, E., 1992. J. chem. Phys., 96:8477
8. Pusztai, L., and McGreevy, R. L., 1997. Molec. Phys., 90:533
9. McDonald, I. R., Bounds, D. G., and Klein, M. L., 1982. Molec. Phys., 45:521
10. Steinhauser, O., and Neumann, M., 1980. Molec. Phys., 40:115
11. Kölmel, C., Ahlrichs, R., and Karch, B., 1989. Molec. Phys., 66:1015
12. Chang, T. M., Peterson, K. A., and Dang, L. X., 1995. J. chem. Phys., 103:7502
13. DeBolt, S. E., and Kollman, P. A., 1990. J. Am. chem. Soc., 112:7515
14. Applequist, J., Carl, J. R., and Fung, K.-K., 1972. J. Am. chem. Soc., 94:2952
15. Stone, A. J., 1981. Chem. Phys. Lett., 83:233
16. Ewool, K. M., and Strauss, H. L., 1973. J. chem. Phys., 58:5835
17. Haase, J., and Zeil, W., 1965. Z. Phys. Chem., 45 (3/4):202
18. 1996. Handbook of Chemistry and Physics, 77th Edn Boca Raton, Florida:CRC Press.
19. Ángyán, J. G., Jansen, G., Loos, M., Hättig, C., and Hess, B. A., 1994. Chem. Phys. Lett., 219:267
20. Jansen, G., Hättig, C., Hess, B. A., and Ángyán, J. G., 1996. Molec. Phys., 88:69
21. Hättig, C., Jansen, G., Hess, B. A., and Ángyán, J. G., 1997. Molec. Phys., 91:145
22. Bader, R. F. W., 1990. Atoms in Molecules—–A Quantum Theory London:Oxford University Press.
23. Bader, R. F. W., 1991. Chem. Rev., 91:893
24. Hättig, C., Jansen, G., Hess, B. A., and Ángyán, J. G., 1996. Can. J. Chem., 74:976
25. Stone, A. J., Hättig, C., Jansen, G., and Ángyán, J. G., 1996. Molec. Phys., 89:592
26. Dymond, J. H., and Smith, E. B., 1980. The Virial Coefficient of Pure Gases and Mixtures Oxford:Clarendon.
27. Andersen, H. C., 1980. J. chem. Phys., 72:2384
28. Nosé, S., 1984. Molec. Phys., 52:255
29. Nosé, S., 1984. J. chem. Phys., 81:511
30. Vargaftik, N. B., 1987. Handbook of Physical Properties of Liquid and Gases:Pure Substances and Mixtures Washington:Hemisphere Publ.
31. Majer, V., [Stilde]váb, L., and Svoboda, V., 1980. J. chem. Thermodynamics, 12:843
32. Allen, M. P., and Tildesley, D. J., 1987. Computer Simulations of Liquids Oxford:Oxford Science Publications.
33. Chahid, A., Bermejo, F. J., Martinez, J. L., and Enciso, E., 1992. J. Phys. condens. matter, 4:1213
34. O'Reilly, D. E., and Schacher, G. E., 1963. J. chem. Phys., 39:1768
35. Stone, A. J., and Price, S. L., 1988. J. phys. Chem., 92:3325