Mean force potential for the calcium–chloride ion pair in water
- 1 September 1993
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (5) , 4229-4230
- https://doi.org/10.1063/1.466076
Abstract
The potential of mean force for the Ca2+–Cl− ion pair in water has been calculated from constrained MD simulations assuming a rigid simple point charged (SPC/E) model for water. Unlike for monovalent ion pairs the resulting potential does not show any noticeable minimum at short distances.Keywords
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