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Molecular dynamics simulations were used to study properties of water at the interface with nanometer-size solutes. We simulated nonpolar attractive Kihara cavities given by a Lennard-Jones potential shifted by a

Molecular dynamics simulations were used to study properties of water at the interface with nanometer-size solutes. We simulated nonpolar attractive Kihara cavities given by a Lennard-Jones potential shifted by a core radius. The dipolar response of the hydration layer to a uniform electric field substantially exceeds that of the bulk. For strongly attractive solutes, the collective dynamics of the hydration layer become slow compared to bulk water, as the solute size is increased.

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    Date Created
    • 2012
    Resource Type
  • Text
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    • Partial requirement for: Ph.D., Arizona State University, 2012
      Note type
      thesis
    • Includes bibliographical references (p. 89-94)
      Note type
      bibliography
    • Field of study: Chemistry

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    by Allan Dwayne Friesen

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