Charge-Dependent Cavity Radii for an Accurate Dielectric Continuum Model of Solvation with Emphasis on Ions: Aqueous Solutes with Oxo, Hydroxo, Amino, Methyl, Chloro, Bromo, and Fluoro Functionalities

2008 ◽  
Vol 112 (42) ◽  
pp. 10604-10613 ◽  
Author(s):  
Bojana Ginovska ◽  
Donald M. Camaioni ◽  
Michel Dupuis ◽  
Christine A. Schwerdtfeger ◽  
Quinn Gil
Keyword(s):  
Continuum Model ◽  
Dielectric Continuum ◽  
Dielectric Continuum Model

A Fast Solver for a Nonlocal Dielectric Continuum Model

2012 ◽  
Vol 34 (2) ◽  
pp. B107-B126 ◽  
Author(s):  
Dexuan Xie ◽  
Yi Jiang ◽  
Peter Brune ◽  
L. Ridgway Scott
Keyword(s):  
Continuum Model ◽  
Fast Solver ◽  
Dielectric Continuum ◽  
Dielectric Continuum Model

A dielectric continuum model of solvation for complex solutes

2005 ◽  
Vol 169 (1-3) ◽  
pp. 69-74 ◽  
Author(s):  
Nicolas Levy ◽  
Daniel Borgis ◽  
Massimo Marchi
Keyword(s):  
Continuum Model ◽  
Dielectric Continuum ◽  
Dielectric Continuum Model

A CC2 dielectric continuum model and a CC2 molecular mechanics model

2003 ◽  
Vol 101 (13) ◽  
pp. 2055-2071 ◽  
Author(s):  
ANDERS OSTED ◽  
JACOB KONGSTED ◽  
KURT MIKKELSEN ◽  
OVE CHRISTIANSEN
Keyword(s):  
Molecular Mechanics ◽  
Continuum Model ◽  
Mechanics Model ◽  
Molecular Mechanics Model ◽  
Dielectric Continuum ◽  
Dielectric Continuum Model
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