Calculation of interfacial properties using molecular simulation with the reaction field method: Results for different water models

2010 ◽  
Vol 132 (18) ◽  
pp. 184102 ◽  
Author(s):  
J. M. Míguez ◽  
D. González-Salgado ◽  
J. L. Legido ◽  
M. M. Piñeiro
Keyword(s):  
Molecular Simulation ◽  
Interfacial Properties ◽  
Field Method ◽  
Reaction Field ◽  
Water Models

scholarly journals A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field

1998 ◽  
Vol 108 (24) ◽  
pp. 10220-10230 ◽  
Author(s):  
David van der Spoel ◽  
Paul J. van Maaren ◽  
Herman J. C. Berendsen
Keyword(s):  
Molecular Simulation ◽  
Systematic Study ◽  
Reaction Field ◽  
Water Models

A multiconfigurational self‐consistent reaction‐field method

1988 ◽  
Vol 89 (5) ◽  
pp. 3086-3095 ◽  
Author(s):  
Kurt V. Mikkelsen ◽  
Hans Ågren ◽  
Hans Jo/rgen Aa. Jensen ◽  
Trygve Helgaker
Keyword(s):  
Field Method ◽  
Reaction Field ◽  
Self Consistent

The iterative self-consistent reaction-field method: The refractive index of pure water

2010 ◽  
Vol 111 (4) ◽  
pp. 904-913 ◽  
Author(s):  
Kristian O. Sylvester-Hvid ◽  
Kurt V. Mikkelsen ◽  
Mark A. Ratner
Keyword(s):  
Refractive Index ◽  
Pure Water ◽  
Field Method ◽  
Reaction Field ◽  
Self Consistent
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