The Cluster−Continuum Model for the Calculation of the Solvation Free Energy of Ionic Species

2001 ◽  
Vol 105 (30) ◽  
pp. 7241-7247 ◽  
Author(s):  
Josefredo R. Pliego ◽  
José M. Riveros
Keyword(s):  
Free Energy ◽  
Continuum Model ◽  
Ionic Species ◽  
Solvation Free Energy

Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy

2001 ◽  
Vol 23 (2) ◽  
pp. 214-221 ◽  
Author(s):  
Olgun Guvench ◽  
Jörg Weiser ◽  
Peter Shenkin ◽  
István Kolossváry ◽  
W. Clark Still
Keyword(s):  
Free Energy ◽  
Continuum Model ◽  
Solvation Free Energy

scholarly journals Rapid Prediction of Solvation Free Energy. 2. The First-Shell Hydration (FiSH) Continuum Model

2010 ◽  
Vol 6 (5) ◽  
pp. 1622-1637 ◽  
Author(s):  
Christopher R. Corbeil ◽  
Traian Sulea ◽  
Enrico O. Purisima
Keyword(s):  
Free Energy ◽  
Continuum Model ◽  
Solvation Free Energy ◽  
Rapid Prediction

A quasilinear RISM approach for the computation of solvation free energy of ionic species

2006 ◽  
Vol 418 (4-6) ◽  
pp. 485-489 ◽  
Author(s):  
G.N. Chuev ◽  
S. Chiodo ◽  
S.E. Erofeeva ◽  
M.V. Fedorov ◽  
N. Russo ◽  
...  
Keyword(s):  
Free Energy ◽  
Ionic Species ◽  
Solvation Free Energy
Sign in / Sign up

Export Citation Format

Share Document