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SEARCHING FOR MD SIMULATION FOR HYDRATION FREE ENERGIES (fwd)
Sender: brower@rich.bu.edu (Richard C. Brower)
Subject: WSN: searching for MD simulation for hydration free energies
I am looking for simulations of the Free energy for a spherical ions.
Does this article, Straatsma and Berendsen, Free energy of
ion hydration.... in J. Chem. Phys. 89 (1988) 5876, have this.
In general there must be a good reference for free energy calculations of
small ions done by "theromodynamics integeraions" using some popular
TIP? water model.
Where can I find these results?
Prof. Richard C. Brower
Boston University
Boston Mass.
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Subject: GET WATER WATER.9507 (1/1)
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