Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Direct and Highly Efficient Estimation of the Entropy through the Canonical Ensemble Average of Acceptance Ratios

  • Hong, Seung-Do (CAMD Research Center, Soongsil University) ;
  • Shin, Hang-Cheol (Department of Bioinformatics and Life Science and CAMD Research Center, Soongsil University) ;
  • Cho, Kwang-Hwi (Department of Bioinformatics and Life Science and CAMD Research Center, Soongsil University)
  • Published : 2005.11.20
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References

  1. Valleau, J. P.; Torrie, G. M. In Modern Theoretical Chemistry; Berne, B. J., Ed.; Plenum: New York, 1977; Vol. 5, pp 169-194
  2. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, 1987; pp 213-220
  3. Frenkel, D.; Smit, B. Understanding Molecular Simulation: From Algorithms to Applications, 2nd ed.; Academic: London, 2002; pp 167-200
  4. Widom, B. J. Chem. Phys. 1963, 39, 2808 https://doi.org/10.1063/1.1734110
  5. Deitrick, G. L.; Scriven, L. E.; Davis, H. T. J. Chem. Phys. 1989, 90, 2370 https://doi.org/10.1063/1.455979
  6. Jedlovszky, P.; Mezei, M. J. Am. Chem. Soc. 2000, 122, 5125 https://doi.org/10.1021/ja000156z
  7. Hong, S. D.; Jhon, M. S. Chem. Phys. Lett. 1997, 273, 79 https://doi.org/10.1016/S0009-2614(97)00581-2
  8. Hong, S. D.; Yoon, B. J.; Jhon, M. S. Chem. Phys. Lett. 1992, 188, 299 https://doi.org/10.1016/0009-2614(92)90026-J
  9. Hong, S. D. Bull. Korean Chem. Soc. 2003, 24, 1351. 7. Hong, S. D.; Jang, D.-J. Chem. Lett. 2002, 31, 442
  10. Hong, S. D.; Jang, D.-J. Chem. Lett. 2002, 31, 442
  11. Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087 https://doi.org/10.1063/1.1699114
  12. Carnahan, N. F.; Starling, K. E. J. Chem. Phys. 1969, 51, 635 https://doi.org/10.1063/1.1672048
  13. Levesque, D.; Verlet, L. Phys. Rev. 1969, 182, 307 https://doi.org/10.1103/PhysRev.182.307
  14. Hansen, J.-P.; Verlet, L. Phys. Rev. 1969, 184, 1510 https://doi.org/10.1103/PhysRev.184.151
  15. Hong, S. D.; Jang, D.-J. Chem. Lett. 2002, 31, 946
  16. Hong, S. D.; Jhon, M. S. Chem. Phys. Lett. 1997, 267, 422 https://doi.org/10.1016/S0009-2614(97)00144-9
  17. Weeks, J. D.; Chandler, D.; Anderson, H. C. J. Chem. Phys. 1971, 54, 5237 https://doi.org/10.1063/1.1674820
  18. Gay, S. C.; Rainwater, J. C.; Beale, P. D. J. Chem. Phys. 2000, 112, 9841 https://doi.org/10.1063/1.481622
  19. Yoon, B. J.; Hong, S. D.; Jhon, M. S.; Scheraga, H. A. Chem. Phys. Lett. 1991, 181, 73 https://doi.org/10.1016/0009-2614(91)90224-W
  20. Brilliantov, N. V.; Valleau, J. P. J. Chem. Phys. 1998, 108, 1115 https://doi.org/10.1063/1.475473
  21. Frantz, D. D.; Freeman, D. L.; Doll, J. D. J. Chem. Phys. 1992, 97, 5713 https://doi.org/10.1063/1.463756
  22. Tsai, C. J.; Jordan, K. D. J. Chem. Phys. 1993, 99, 6957 https://doi.org/10.1063/1.465442
  23. Chandler, D. Nature 2002, 417, 491 https://doi.org/10.1038/417491a

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