Kirkwood–Buff derived force field for alkali chlorides in simple point charge water

2010 ◽  
Vol 132 (2) ◽  
pp. 024109 ◽  
Author(s):  
Benjamin Klasczyk ◽  
Volker Knecht
Keyword(s):  
Force Field ◽  
Point Charge ◽  
Simple Point ◽  
Alkali Chlorides

Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model

1999 ◽  
Vol 110 (2) ◽  
pp. 741-754 ◽  
Author(s):  
Jay L. Banks ◽  
George A. Kaminski ◽  
Ruhong Zhou ◽  
Daniel T. Mainz ◽  
B. J. Berne ◽  
...  
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Point Charge ◽  
Point Charge Model ◽  
Polarizable Force Field ◽  
Charge Model

Phase equilibria in extended simple point charge ice‐water systems

1995 ◽  
Vol 103 (22) ◽  
pp. 9744-9755 ◽  
Author(s):  
Luis A. Báez ◽  
Paulette Clancy
Keyword(s):  
Phase Equilibria ◽  
Point Charge ◽  
Water Systems ◽  
Simple Point ◽  
Ice Water

scholarly journals A Simple Point Charge Model for the Hydrogen Bonds of the Type N ... H __ O.

1970 ◽  
Vol 24 ◽  
pp. 953-958
Author(s):  
Nada Salaj ◽  
K. Grjotheim ◽  
B. Högdahl ◽  
H. A. Øye ◽  
S. E. Rasmussen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Point Charge ◽  
Simple Point ◽  
Point Charge Model ◽  
Charge Model

Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L

2002 ◽  
Vol 116 (22) ◽  
pp. 9811-9828 ◽  
Author(s):  
Alice Glättli ◽  
Xavier Daura ◽  
Wilfred F. van Gunsteren
Keyword(s):  
Liquid Water ◽  
Point Charge ◽  
Simple Point ◽  
Point Charge Model ◽  
Charge Model
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