A molecular dynamics simulation study of liquid carbon tetrachloride

Molecular Simulation

Volumn 18, Issue 1-2, 1996, Pages 1-11

  Tironi, Ilario G ^a   Fontana, Patrick ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Carbon tetrachloride; Molecular dynamics; Surface tension; Viscosity

Indexed keywords

EID: 0041785053     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608022351     Document Type: Article

References (16)

1. Allen, M. P. and Tildesley, D. J. (1991) in Computer Simulation of Liquids, Oxford University Press, Oxford.
2. Beutler, T. C. and Mark, A. E. personal communication.
3. 4", Journal of Chemical Physics, 70, 3395.
4. Steinhauser, O. and Neumann, M. (1980) "Structure and dynamics of liquid carbon tetrachloride. A molecular dynamics study", Molecular Physics, 40, 115.
5. McDonald, I. R., Bounds, D. G. and Klein, M. L. (1982) "Molecular dynamics calculations for the liquid and cubic plastic crystal phasses of carbon tetrachloride", Molecular Physics, 45, 521.
6. 4 Liquid Mixtures", Berichte Bunsengesellschaft Physikalische Chemie, 95, 995.
7. Chang, T., and Peterson, K. A. (1995) "Molecular dynamics simulations of liquid, interface and ionic solvation of polarizable carbon tetrachloride", Journal of Chemical Physics, 95, 7502.
8. van Gunsteren, W. F. and Berendsen, H. J. C. (1987) Molecular Simulation (GROMOS) Library A. Manual, Biomos, Groningen.
9. Ryckaert, J.-P., Ciccotti, G. and Berendsen, H. J. C. (1977) "Numerical Integration of the cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes", Journal of Computational Physics, 23, 327.
10. Berendsen, H. K. C. Postma, J. P. M. van Gunsteren, W. F DiNola A. and Haak, J. R. (1984) "Molecular dynamics with coupling to a heat bath", Journal Chemical Physics, 81, 3684.
11. Tironi I. G. and van Gunsteren, W. F. (1994) "A molecular dynamics simulation study of chloroform", Molecular Physics, 83, 381.
12. Riddick, J. A. Bunger W. B. and Sakand, T. K. (1986) Organic Solvents Physical Properties and Methods of Purification, John Wiley & Sons New York.
13. Narten, A. H. (1976) "Liquid carbon tetrachloride: Atom pair correlation functions from neutron and x-ray diffraction", Journal of Chemical Physics, 65, 573.
14. Alejandre, J. Tildesley D. J. and Chapela G. A. (1995) "Molecular dynamics simulation of the orthobaric and surface tension of water", Journal of Chemical Physics, 102, 4574.
15. Weast, R. C. (1986) CRC Handbook of Chemistry and Physics, CRC Press.
16. Landolt-Börnstein (1969) "Zahlenwerte und Funktionen aus Physik und Chemie", Vol. II, Part 2a, 5a and 3, Springer, Heidelberg.