scholarly journals A combined discrete/continuum solvation model: Application to glycine

2000 ◽  
Vol 113 (3) ◽  
pp. 1104-1109 ◽  
Author(s):  
Pradipta Bandyopadhyay ◽  
Mark S. Gordon
Keyword(s):  
Continuum Solvation ◽  
Solvation Model ◽  
Model Application ◽  
Continuum Solvation Model

Extension of the MST continuum solvation model to the RM1 semiempirical hamiltonian

2007 ◽  
Vol 29 (4) ◽  
pp. 578-587 ◽  
Author(s):  
Flavio Forti ◽  
Xavier Barril ◽  
F. Javier Luque ◽  
Modesto Orozco
Keyword(s):  
Continuum Solvation ◽  
Solvation Model ◽  
Continuum Solvation Model

Prediction of the pKaof Carboxylic Acids Using the ab Initio Continuum-Solvation Model PCM-UAHF

1998 ◽  
Vol 102 (33) ◽  
pp. 6706-6712 ◽  
Author(s):  
Gerrit Schüürmann ◽  
Maurizio Cossi ◽  
Vincenzo Barone ◽  
Jacopo Tomasi
Keyword(s):  
Ab Initio ◽  
Carboxylic Acids ◽  
Continuum Solvation ◽  
Solvation Model ◽  
Continuum Solvation Model

A Continuum Solvation Model for the AM1 Semi-Empirical Method

1993 ◽  
Vol 33 (4) ◽  
pp. 427-434 ◽  
Author(s):  
Richard W. Dixon ◽  
Joseph M. Leonard ◽  
Warren J. Hehre
Keyword(s):  
Empirical Method ◽  
Continuum Solvation ◽  
Solvation Model ◽  
Continuum Solvation Model ◽  
Semi Empirical
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