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Volumn 108, Issue 19, 1998, Pages 7959-7966

Deriving the isothermal-isobaric ensemble: The requirement of a "shell" molecule and applicability to small systems

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EID: 0000673283     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476236     Document Type: Article
Times cited : (52)

References (25)
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    • Examples include Ref. 2; Springer, New York
    • Examples include Ref. 2; M. Toda, R. Kubo, and N. Saitô, Statistical Physics 1 (Springer, New York, 1995); M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1996).
    • (1995) Statistical Physics 1
    • Toda, M.1    Kubo, R.2    Saitô, N.3
  • 5
    • 85052507481 scopus 로고    scopus 로고
    • Clarendon, Oxford
    • Examples include Ref. 2; M. Toda, R. Kubo, and N. Saitô, Statistical Physics 1 (Springer, New York, 1995); M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1996).
    • (1996) Computer Simulation of Liquids
    • Allen, M.P.1    Tildesley, D.J.2
  • 12
    • 36449003573 scopus 로고
    • H. M. Ellerby, C. L. Weakliem, and H. Reiss, J. Chem. Phys. 95, 9209 (1991); C. L. Weakliem and H. Reiss, ibid. 99, 5374 (1993); 101, 2389 (1994); P. Schaaf, B. Senger, and H. Reiss, J. Phys. Chem. B 101, 8740 (1997).
    • (1991) J. Chem. Phys. , vol.95 , pp. 9209
    • Ellerby, H.M.1    Weakliem, C.L.2    Reiss, H.3
  • 13
    • 0000496716 scopus 로고
    • H. M. Ellerby, C. L. Weakliem, and H. Reiss, J. Chem. Phys. 95, 9209 (1991); C. L. Weakliem and H. Reiss, ibid. 99, 5374 (1993); 101, 2389 (1994); P. Schaaf, B. Senger, and H. Reiss, J. Phys. Chem. B 101, 8740 (1997).
    • (1993) J. Chem. Phys. , vol.99 , pp. 5374
    • Weakliem, C.L.1    Reiss, H.2
  • 14
    • 36449003573 scopus 로고
    • H. M. Ellerby, C. L. Weakliem, and H. Reiss, J. Chem. Phys. 95, 9209 (1991); C. L. Weakliem and H. Reiss, ibid. 99, 5374 (1993); 101, 2389 (1994); P. Schaaf, B. Senger, and H. Reiss, J. Phys. Chem. B 101, 8740 (1997).
    • (1994) J. Chem. Phys. , vol.101 , pp. 2389
  • 15
    • 0031245699 scopus 로고    scopus 로고
    • H. M. Ellerby, C. L. Weakliem, and H. Reiss, J. Chem. Phys. 95, 9209 (1991); C. L. Weakliem and H. Reiss, ibid. 99, 5374 (1993); 101, 2389 (1994); P. Schaaf, B. Senger, and H. Reiss, J. Phys. Chem. B 101, 8740 (1997).
    • (1997) J. Phys. Chem. B , vol.101 , pp. 8740
    • Schaaf, P.1    Senger, B.2    Reiss, H.3
  • 21
    • 85034282282 scopus 로고    scopus 로고
    • In certain cases, such as a system under tension (e.g., one-dimensional polymer chain), the number of new configurations for v + dv is less than for v, but again redundancies are removed if a shell particle is present in v + dv
    • In certain cases, such as a system under tension (e.g., one-dimensional polymer chain), the number of new configurations for v + dv is less than for v, but again redundancies are removed if a shell particle is present in v + dv.


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