An accurate theoretical description of fluids composed of fully anisotropic molecules: Application to C2v symmetry

Journal of Chemical Physics

Volumn 107, Issue 12, 1997, Pages 4642-4647

  Alvarez, M ^a   Lado, F ^a,c   Lomba, E ^a   Lombardero, M ^a,b   Martin C ^a,b  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000912119     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474825     Document Type: Article

References (17)

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14. See the discussion in Ref. 1 and F. Lado, Mol. Phys. 47, 283 (1982) regarding the spatial coefficients and axial coefficients.
15. Explicit formulas for anisotropic polarizabilities can be found in J.S. Høye and E. Lomba, Mol. Phys. 81, 385 (1994).
16. All MD results presented in this paper have been generated using the DL_POLY program. DL_POLY is a package of molecular simulation routines written by W. Smith and T. R. Forester. Copyright: The Engineering and Physical Sciences Research Council, acting through its Daresbury and Rutherford Appleton Laboratory at Daresbury Laboratory, 1994.
17. M. Lombardero, C. Martín, and E. Lomba, J. Chem. Phys. 98, 6465 (1993).