Density and Temperature Dependences of Hydration Free Energy of Na+and Cl-at Supercritical Conditions Predicted by ab Initio/Classical Free Energy Perturbation

2003 ◽  
Vol 107 (35) ◽  
pp. 9505-9513 ◽  
Author(s):  
Wenbin Liu ◽  
Robert H. Wood ◽  
Douglas J. Doren
Keyword(s):  
Free Energy ◽  
Ab Initio ◽  
Free Energy Perturbation ◽  
Hydration Free Energy ◽  
Supercritical Conditions ◽  
Temperature Dependences ◽  
Energy Perturbation

Exploring the ab initio/classical free energy perturbation method: The hydration free energy of water

2000 ◽  
Vol 113 (7) ◽  
pp. 2583-2593 ◽  
Author(s):  
Shinichi Sakane ◽  
Eric M. Yezdimer ◽  
Wenbin Liu ◽  
Jose A. Barriocanal ◽  
Douglas J. Doren ◽  
...  
Keyword(s):  
Free Energy ◽  
Perturbation Method ◽  
Ab Initio ◽  
Free Energy Perturbation ◽  
Hydration Free Energy ◽  
Energy Perturbation
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