Temperature dependence of single particle dynamics of flexible liquid benzene using molecular dynamics simulation

Journal of Molecular Structure: THEOCHEM

Volumn 458, Issue 3, 1999, Pages 275-283

  Nakagawa, Tetsuo ^a   Yamanaka, Shigenobu ^a   Urakawa, Hiroshi ^a   Kanji Kajiwara, ^a   Hayashi, Soichi ^b  

^a KYOTO INSTITUTE OF TECHNOLOGY   (Japan)

^b HEWLETT PACKARD ENTERPRISE   (United States)

Author keywords

Benzene; Molecular dynamics simulation; Reorientational correlation time; Single particle dynamics; Translational diffusion coefficient

Indexed keywords

BENZENE;

ARTICLE; DIFFUSION COEFFICIENT; HYDRODYNAMICS; LIQUID; MOLECULAR DYNAMICS; SIMULATION; TEMPERATURE DEPENDENCE;

EID: 0033593194     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00248-6     Document Type: Article

References (30)

1. Hayashi S., Oobatake M., Ooi T., Machida K. Bull. Chem. Soc. Jpn. 58:1985;1105.
2. T. Nakagawa, J. Mol. Liq., 63 (1995) 303; 70 (1996) 11; 70 (1996) 21.
3. T. Nakagawa, J. Mol. Liq., 63 (1995) 303; 70 (1996) 11; 70 (1996) 21.
4. T. Nakagawa, J. Mol. Liq., 63 (1995) 303; 70 (1996) 11; 70 (1996) 21.
5. Nakagawa T., Kajiwara K., Hayashi S. J. Mol. Liq. 75:1998;189.
6. Nakagawa T., Yamanaka S., Urakawa H., Kajiwara K., Maeda H., Hayashi S. J. Mol. Liq. 75:1998;127.
7. Nakagawa T., Urakawa H., Kajiwara K., Hayashi S. J. Mol. Struct. (THEOCHEM). 429:1998;23.
8. Kivelson D., Madden P.A. Ann. Rev. Phys. Chem. 31:1980;523.
9. Painter P.C., Snyder R.G. Spectrochim. Acta. 36A:1980;337.
10. Nakagawa T., Umemura J., Hayashi S., Oobatake M., Miwa Y., Machida K. Mol. Phys. 88:1996;1635.
11. Maliniak A., Laaksonen A. Mol. Phys. 62:1987;489.
12. D.R. Ride, H.V. Kehiaian, CRC Handbook of Thermophysical and Thermochemical Data, CRC Press, Boca Raton, 1994.
13. D.A. McQuarrie, Statistic Mechanics, Harper Collins, New York, 1976.
14. U. Balucani, M. Zoppi, Dynamics of the Liquid State, Clarendon Press, Oxford, 1994.
15. T. Kato, K. Machida, M. Oobatake, S. Hayashi, J. Chem. Phys. 89 (1988) 3211; 89 (1988) 7471; 92 (1990) 5506; 93 (1990) 3970.
16. T. Kato, K. Machida, M. Oobatake, S. Hayashi, J. Chem. Phys. 89 (1988) 3211; 89 (1988) 7471; 92 (1990) 5506; 93 (1990) 3970.
17. T. Kato, K. Machida, M. Oobatake, S. Hayashi, J. Chem. Phys. 89 (1988) 3211; 89 (1988) 7471; 92 (1990) 5506; 93 (1990) 3970.
18. T. Kato, K. Machida, M. Oobatake, S. Hayashi, J. Chem. Phys. 89 (1988) 3211; 89 (1988) 7471; 92 (1990) 5506; 93 (1990) 3970.
19. Hiraoka H. Bull. Chem. Soc. Jpn. 32:1959;423.
20. Rathbun R.E., Babb A.L. J. Phys. Chem. 65:1961;1072.
21. Mill R. J. Phys. Chem. 69:1965;3116.
22. Collings A.F., Mill R. Trans. Faraday Soc. 66:1970;2761.
23. Falcone D.R., Douglass D.C., McCall D.W. J. Phys. Chem. 71:1967;2754.
24. McCool M.A., Collings A.F., Woolf L.A. J. Chem. Soc. Faraday I. 68:1972;1489.
25. Linse P., Engström S., Jönsson B. Chem. Phys. Lett. 115:1985;95.
26. Anderson J., Ullo J.J., Yip S. J. Chem. Phys. 86:1987;4078.
27. P.A. Egelstaff, An Introduction to the Liquid State, 2nd ed., Clarendon Press, Oxford, 1994.
28. Gillen K.T., Griffiths J.E. Chem. Phys. Lett. 17:1972;359.
29. Matsubayashi N., Nakahara M. J. Chem. Phys. 94:1991;653.
30. Nakagawa T. Indian J. Chem. 36A:1997;742.