Modeling the water-halide ion interactions

Synopsis Ions play an important role in many heterogeneous processes, and understanding specific ion effects is a key point in studying solvation mechanisms in liquids as well as reactivity of aerosol particles. In this regard, a crucial issue to be resolved is the extent to which ions influence the...

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Bibliographic Details
Published in:Journal of physics. Conference series 2015-09, Vol.635 (3), p.32009
Main Authors: Arismendi-Arrieta, D J, Prosmiti, R, Paesani, F
Format: Article
Language:English
Subjects:
Hydrogen bonds
Physics
Solvation
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Summary:Synopsis Ions play an important role in many heterogeneous processes, and understanding specific ion effects is a key point in studying solvation mechanisms in liquids as well as reactivity of aerosol particles. In this regard, a crucial issue to be resolved is the extent to which ions influence the structural and dynamical properties of the surrounding hydrogen bond network and, at the same time, to provide a direct molecular-level interpretation of the experimental measurements.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/635/3/032009