Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation

References

• Jorgensen , W. L. , Maxwell , D. S. and Tirado-Rives , J. 1996 . J. Amer. chem. Soc. , 108 : 6638
   Google Scholar
• Cornell , W. D. , Cieplak , P. , Bayly , C. , Gould , I. R. , Merz , K. M. , Ferguson , D. M. , Spellmeyer , D. C. , Fox , T. , Caldwell , J. W. and Kollman , P. A. 1995 . J. Amer. chem. Soc. , 117 : 5179
   Web of Science ®Google Scholar
• Martin , M. G. and Siepmann , J. I. 1997 . J. Amer. chem. SOC. , 119 : 8921
   Web of Science ®Google Scholar
• Errington , J. R. , Boulougouris , G. C. , Economou , I. G. , Panagiotopoulos , A. Z. and Theodorou , D. N. 1998 . J. phys. Chem. B , 102 : 8865
   Web of Science ®Google Scholar
• Nath , S. K. , Escobedo , F. A. and De Pablo , J. J. 1998 . J. chem. Phys. , 108 : 9905
   Web of Science ®Google Scholar
• Ungerer , P. , Beauvais , C. , Delhommelle , J. , Boutin , A. , Rousseau , B. and Fuchs , A. H. 2000 . J. chem. Phys. , 112 : 5499
   Web of Science ®Google Scholar
• Delhommelle , J. , Tschirwitz , C. , Ungerer , P. , Granucci , G. , Millie , P. , Pattou , D. and Fuchs , A. H. 2000 . J. phys. Chem. B. , 104 : 4745
   Web of Science ®Google Scholar
• Maitland , G. C. , Rigby , M. , Smith , E. B. and Wakeham , W. A. 1981 . Intermolecular forces Oxford : Clarendon Press .
   Google Scholar
• Stone , A. J. 1996 . The Theory of Intermolecular Forces Oxford : Clarendon Press .
   Google Scholar
• Pena , M. D. , Pendo , C. and Renuncio , J. A. R. 1981 . J. chem. Phys. , 76 : 333
   Web of Science ®Google Scholar
• Tang , K. T. and Toennies , J. P. 1986 . Z. Phys. D , 1 : 91
   Google Scholar
• Ihm , G. , Cole , M. W. , Toigo , F. and Klein , J. R. 1990 . Phys. Rev. A , 42 : 5244
   PubMed Web of Science ®Google Scholar
• Delhommelle , J. , Millie , P. and Fuchs , A. H. 2000 . Molec. Phys. , 98, 1895
   Google Scholar
• Potoff , J. J. , Errington , J. R. and Panagiotopoulos , A. Z. 1999 . Molec. Phys. , 97, 1073
   Google Scholar
• Kong , C. L. 1973 . J. chem. Phys. , 59, 2464
   Google Scholar
• Aziz , R. A. 1993 . J. chem. Phys. , 99 : 4518
   Web of Science ®Google Scholar
• Anta , J. A. , Lomba , E. and Lombardero , M. 1997 . Phys. Rev. , 55 : 2707 E
   Google Scholar
• Marcelli , G. and Sadus , R. 1999 . J. chem. Phys. , 99 : 4518
   Google Scholar
• Waldman , M. and Hagler , A. T. 1993 . J. comput. Chem. , 14 : 1077
   Web of Science ®Google Scholar
• Delhommelle , J. , Boutin , A. , Tavitian , B. , Mackie , A. D. and Fuchs , A. H. 1999 . Molec. Phys. , 96 : 1517
   Web of Science ®Google Scholar
• Smit , B. 1992 . J. chem. Phys. , 96 : 8639
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1994 . Int. J. Thermophus. , 15 : 6
   Web of Science ®Google Scholar
• Martin , M. G. and Siepmann , J. I. 1998 . J. phys. Chem. B. , 102 : 2569
   Web of Science ®Google Scholar
• Vargaftik , N. B. 1975 . Handbook of Physical Properties of Liquids and Gases Washington, DC : Hemisphere .
   Google Scholar
• Aziz , R. A. 1984 . “ Chap. 2 ” . In Inert Gases Edited by: Klein , M. L. Berlin : Springer-Verlag .
   Google Scholar
• Smith , F. T. 1972 . Proc. R. SOC. Lond. A , 5 : 1708
   Google Scholar
• Panagiotopolous , A. Z. 1987 . Molec. Phys. , 61 : 813
   Web of Science ®Google Scholar
• Panagiotopolous , A. Z. , Quirke , N. , Stapleton , M. and Tildesley , D. J. 1988 . Molec. Phys. , 63 : 527
   Web of Science ®Google Scholar
• Allen , M. P. and Tildesley , D. J. 1987 . Computer Simulation of Liquids Oxford University Press .
   Google Scholar
• Street , W. B. 1967 . J. chem. Phys. , 46 : 3282
   Web of Science ®Google Scholar
• Street , W. B. 1965 . J. chem. Phys. , 42 : 500
   Web of Science ®Google Scholar
• Miller , R. C. , Kidnay , A. J. and Hiza , M. J. 1972 . J. chem. Thermodynam. , 4 : 807
   Web of Science ®Google Scholar