Electrostatic Properties of Water at Interfaces with Nanoscale Solutes
abstract: 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 electri...
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| Format: | Doctoral Thesis |
| Language: | English |
| Published: |
2012
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| Online Access: | http://hdl.handle.net/2286/R.I.15182 |