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Volumn 106, Issue 2, 2002, Pages 215-221

Equilibrium and dynamical aspects of solvation of Coumarin-151 in polar nanoclusters

Author keywords

[No Author keywords available]

Indexed keywords

POLAR NANOCLUSTERS;

EID: 0037123017     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012626x     Document Type: Article
Times cited : (11)

References (42)
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    • Surface and bulk solvation states have been found in simple halides dissolved in water clusters. For recent studies, see: Jorgensen, W.L.; Severance, D.L. J. Chem. Phys. 1993, 99, 4233. Dang, L.X.; Smith, D.E. J. Chem. Phys. 1993, 99, 6950. Perera, L.; Berkowitz, M.L. J. Chem. Phys. 1991, 95, 1954. Perera, L.; Berkowitz, M.L. J. Chem. Phys. 1992, 96, 8288. Perera, L.; Berkowitz, M.L. J. Chem. Phys. 1993, 99, 4236. Tobias, D.J.; Jungwirth, P.; Parrinello, M.; J. Chem. Phys. 2001, 114, 7036.
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    • A similar parametrization to that used in this work was implemented by Kumar, P.V.; Maroncelli, M. J. Chem. Phys. 1995, 103, 3038. Reynolds, L.; Gardecki, J.A.; Frankland, S.J.V.; Horng, M.L.; Maroncelli, M. J. Phys. Chem. 1996, 100, 10337.
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    • note
    • The characterization of solidlike and liquidlike behaviors depends on the cluster size considered. For small aggregates, liquidlike structures exhibit frequent modifications in their overall intramolecular connectivity. On the other hand, in liquidlike larger clusters, water molecules exhibit diffusive behavior manifested by an intermediate linear time dependence in their root-mean-square displacements.
  • 42
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    • note
    • 0 solutes.


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