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Volumn 120, Issue 13, 1998, Pages 3166-3175

A simple model of water and the hydrophobic effect

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

EID: 0032495778     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973029k     Document Type: Article
Times cited : (323)

References (84)
  • 11
    • 0022070055 scopus 로고
    • Lee, B. Biopolymers 1985, 24, 813-823.
    • (1985) Biopolymers , vol.24 , pp. 813-823
    • Lee, B.1
  • 13
    • 0026189147 scopus 로고
    • Lee, B. Biopolymers 1991, 31, 993-1008.
    • (1991) Biopolymers , vol.31 , pp. 993-1008
    • Lee, B.1
  • 32
    • 84920313184 scopus 로고    scopus 로고
    • 33
    • 33
  • 59
    • 84920313183 scopus 로고    scopus 로고
    • note
    • 60 But even if this is the case, this does not limit the value of the model for the properties we study here.
  • 60
    • 84920313182 scopus 로고    scopus 로고
    • Hydrophobicity in a simple model of water: Solvation and hydrogen bond energies
    • In press
    • Silverstein, K. A. T.; Dill, K. A.; Haymet, A. D. J. Hydrophobicity in a simple model of water: solvation and hydrogen bond energies. Fluid Phase Equilibria. In press.
    • Fluid Phase Equilibria
    • Silverstein, K.A.T.1    Dill, K.A.2    Haymet, A.D.J.3
  • 61
    • 84920313181 scopus 로고    scopus 로고
    • note
    • Note, however, that the "ice" that forms in a square box is not of the lowest-energy possible in the model. A perfect honeycomb lattice of a × b molecules fits in a rectangular unit cell of sides (3a/2) × (b√3/2), where a and b are both even; so a square will stretch the hydrogen bonds along one of the coordinate axes, to retain the periodicity through the boundaries. Hence in representing ice in this model accurately, one should begin with a rectangular box of the proper dimensions. But the shape of the box has absolutely no effect on the converged properties of the simulations for disordered fluid states, which is the state of interest here.
  • 63
    • 84920313180 scopus 로고    scopus 로고
    • note
    • Note that the experimental data were obtained along the liquid-vapor coexistence curve, whereas our data are at constant pressure.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.