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Volumn 58, Issue 4, 1998, Pages 4706-4715

Topological and spatial structure in the liquid-water–acetonitrile mixture

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000670661     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.58.4706     Document Type: Article
Times cited : (61)

References (40)
  • 11
  • 12
    • 0002698354 scopus 로고
    • edited by F. Franks, Plenum Press, New York
    • M. G. Sceats and S. A. Rice, in Water: A Comprehensive Treatise, edited by F. Franks (Plenum Press, New York, 1982), Vol. 7, pp. 160–211.
    • (1982) Water: A Comprehensive Treatise , vol.7 , pp. 160-211
    • Sceats, M.G.1    Rice, S.A.2
  • 23
    • 85036342300 scopus 로고    scopus 로고
    • We have used the experimental densities measured at [formula presented], [formula presented], 4
    • We have used the experimental densities measured at T=298.15K and p=1.013⋅105pa 4.
  • 28
    • 85036361006 scopus 로고    scopus 로고
    • We have developed the program package TOP-PACK in order to generate graphs and to analyze them from a topological point of view
    • We have developed the program package TOP-PACK in order to generate graphs and to analyze them from a topological point of view.
  • 30
    • 85036323840 scopus 로고    scopus 로고
    • All SDF’s can be obtained from ftp://ftp.fos.su.se/pub/ documents/dan/acetonitrile-water/
    • All SDF’s can be obtained from ftp://ftp.fos.su.se/pub/ documents/dan/acetonitrile-water/
  • 33
    • 85036247543 scopus 로고    scopus 로고
    • It is not meaningful to use a [formula presented] value smaller than 1.3, since the volumes defining the hydrogen-bond sites would no longer be small and shaped as in Fig. 33(c)
    • It is not meaningful to use a gc value smaller than 1.3, since the volumes defining the hydrogen-bond sites would no longer be small and shaped as in Fig. 33(c).
  • 34
    • 85036377268 scopus 로고    scopus 로고
    • We discard oxygen before nitrogen atoms, and if two atoms of the same kind overlap then we randomly discard one of them
    • We discard oxygen before nitrogen atoms, and if two atoms of the same kind overlap then we randomly discard one of them.
  • 35
    • 85036296419 scopus 로고    scopus 로고
    • We have used the strict criterion to define the hydrogen bonds when we estimate the lifetimes. This ensures that two atoms never enter the same hydrogen-bond site simultaneously
    • We have used the strict criterion to define the hydrogen bonds when we estimate the lifetimes. This ensures that two atoms never enter the same hydrogen-bond site simultaneously.
  • 36
    • 85036288834 scopus 로고    scopus 로고
    • According to the strict definition
    • According to the strict definition.
  • 37
    • 85036213630 scopus 로고    scopus 로고
    • Alexander Lyubartsev has suggested that a lower bound on the lifetime can be obtained by defining the bond as terminated when the original atom leaves the site for the last time
    • Alexander Lyubartsev has suggested that a lower bound on the lifetime can be obtained by defining the bond as terminated when the original atom leaves the site for the last time.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.