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12
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0002698354
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edited by F. Franks, Plenum Press, New York
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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.
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(1982)
Water: A Comprehensive Treatise
, vol.7
, pp. 160-211
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Sceats, M.G.1
Rice, S.A.2
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13
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49149134968
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H. E. Stanley, J. Teixeira, A. Geiger, and R. L. Blumberg, Physica A 106, 260 (1981)
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(1981)
Physica A
, vol.106
, pp. 260
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Stanley, H.E.1
Teixeira, J.2
Geiger, A.3
Blumberg, R.L.4
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15
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36549096025
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R. L. Blumberg, H. E. Stanley, A. Geiger, and P. Mausbach, J. Chem. Phys. 80, 5230 (1984).JCPSA6
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(1984)
J. Chem. Phys.
, vol.80
, pp. 5230
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Blumberg, R.L.1
Stanley, H.E.2
Geiger, A.3
Mausbach, P.4
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23
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85036342300
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We have used the experimental densities measured at [formula presented], [formula presented], 4
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We have used the experimental densities measured at T=298.15K and p=1.013⋅105pa 4.
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28
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85036361006
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We have developed the program package TOP-PACK in order to generate graphs and to analyze them from a topological point of view
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We have developed the program package TOP-PACK in order to generate graphs and to analyze them from a topological point of view.
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30
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85036323840
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All SDF’s can be obtained from ftp://ftp.fos.su.se/pub/ documents/dan/acetonitrile-water/
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All SDF’s can be obtained from ftp://ftp.fos.su.se/pub/ documents/dan/acetonitrile-water/
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33
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85036247543
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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)
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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).
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34
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85036377268
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We discard oxygen before nitrogen atoms, and if two atoms of the same kind overlap then we randomly discard one of them
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We discard oxygen before nitrogen atoms, and if two atoms of the same kind overlap then we randomly discard one of them.
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35
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85036296419
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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
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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.
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36
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85036288834
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According to the strict definition
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According to the strict definition.
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37
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85036213630
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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
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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.
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