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Original Articles

Monte Carlo Simulation of Liquid Water and an Evaluation of Thermodynamic Properties

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Pages 275-289 | Received 01 May 1990, Accepted 01 Oct 1990, Published online: 23 Sep 2006

References

  • Honda , K. and Kitaura , K. 1987 . A new form for intermolecular potential energy functions. . Chem. Phys. Lett. , 140 : 53
  • Némethy , G. and Scheraga , H. A. 1962 . Structure of water and hydrophobic bonding in proteins. I. A model for the thermodynamic properties of liquid water. . J. Chem. Phys. , 36 : 3382
  • Weres , O. and Rice , S. A. 1972 . A new model of liquid water. . J. Am. Chem. Soc. , 94 : 8983
  • Stanley , H. E. 1979 . A polychromatic correlated-site percolation problem with possible relevance to the unusual behaviour of supercooled H2O and D2O. . J. Phys. A: Math. Gen. , 12 : L329
  • Stanley , H. E. and Teixeira , J. 1980 . Interpretation of the unusual behavior of H2O and D2O at low temperatures: Tests of a percolation model . J. Chem. Phys. , 73 : 3404
  • Blumberg , R. L. , Stanley , H. E. , Geiger , A. and Mausbach , P. 1984 . Connectivity of hydrogen bonds in liquid water . J. Chem. Phys. , 80 : 5230
  • Rice , S. A. and Sceats , M. G. 1981 . A random network model for water. . J. Phys. Chem. , 85 : 1108
  • Okazaki , K. , Nosé , S. , Kataoka , Y. and Yamamoto , T. 1981 . Study of liquid water by computer simulations. I. Static properties of a 2D model. . J. Chem. Phys. , 75 : 5864
  • Kataoka , Y. , Hamada , H. , Nosé , S. and Yamamoto , T. 1982 . Studies of liquid water by computer simulations. II. Static properties of a 3D model . J. Chem. Phys. , 77 : 5699
  • Kataoka , Y. 1987 . Studies of liquid water by computer simulations. V. Equation of state of fluid water with Carravetta-Clementi potential . J. Chem. Phys. , 87 : 589
  • Levesque , D. , Weis , J. J. and Hansen , J. P. 1987 . “ Recent developments in the simulation of classical fluids ” . In Applications of the Monte Carlo Method in Statistical Physics , Edited by: Binder , K. Berlin : Springer-Verlag . ch. 2
  • Metropolis , N. , Rosenbluth , A. W. , Rosenbluth , M. N. , Teller , A. H. and Teller , E. 1953 . Equation of state calculations by fast computing machines. . J. Chem. Phys. , 21 : 1087
  • Pohorille , A. , Pratt , L. R. , LaViolette , R. A. , Wilson , M. A. and MacElroy , R. D. 1987 . Comparison of the structure of harmonic aqueous glasses and liquid water. . J. Chem. Phys. , 87 : 6070
  • Ohmine , I. , Tanaka , H. and Wolynes , P. G. 1988 . Large local energy fluctuations in water. II. Cooperative motions and fluctuations . J. Chem. Phys. , 89 : 5852
  • Tanaka , H. and Ohmine , I. 1989 . Potential energy surfaces for water dynamics: Reaction coordinates, transition states, and normal mode analyses. . J. Chem. Phys. , 91 : 6318
  • Kubo , R. 1988 . Statistical Mechanics , 136 Amsterdam : North-Holland .
  • Shaner , J. W. 1988 . Gruneisen gamma and acoustic velocity for soft sphere fluids . J. Chem. Phys. , 89 : 1616
  • Belak , J. , Etters , R. D. and LeSar , R. 1988 . Thermodynamic properties and equation of state of dense fluid nitrogen . J. Chem. Phys. , 89 : 1625
  • Kell , G. S. 1972 . “ Thermodynamic and transport properties of fluid water ” . In Water, A Comprehensive Treatise , Edited by: Franks , F. vol. 1 , New York : Plenum . ch. 10
  • Stillinger , F. H. and Weber , T. A. 1983 . Inherent structure in water. . J. Phys. Chem. , 87 : 2833
  • Marcus , Y. 1977 . Introduction to Liquid State Chemistry , New York : John Wiley & Sons . ch. 1
  • Eisenberg , D. and Kauzmann , W. 1969 . The Structure and Properties of Water Oxford, London ch. 4
  • Jorgensen , W. L. 1981 . Transferable Intermolecular Potential Functions for Water, Alcohols, and Ethers. Application to Liquid Water. . J. Am. Chem. Soc. , 103 : 335
  • Jorgensen , W. L. 1979 . Minimal Basis Set Description of the Structure and Properties of Liquid Water. . J. Am. Chem. Soc. , 101 : 2016

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