Monte Carlo simulation of aqueous solutions of Li+ and Na+ using many‐body potentials.  Coordination numbers, ion solvation enthalpies, and the relative free energy of solvation

1990 ◽  
Vol 92 (11) ◽  
pp. 6761-6767 ◽  
Author(s):  
Piotr Cieplak ◽  
Peter Kollman
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Free Energy ◽  
Aqueous Solutions ◽  
Ion Solvation ◽  
Many Body ◽  
Free Energy Of Solvation ◽  
Coordination Numbers ◽  
Relative Free Energy

scholarly journals The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster Ion Solvation Data

1998 ◽  
Vol 102 (46) ◽  
pp. 9308-9308 ◽  
Author(s):  
Michael D. Tissandier ◽  
Kenneth A. Cowen ◽  
Wan Yong Feng ◽  
Ellen Gundlach ◽  
Michael H. Cohen ◽  
...  
Keyword(s):  
Free Energy ◽  
Gibbs Free Energy ◽  
Ion Solvation ◽  
Free Energy Of Solvation ◽  
Cluster Ion
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