Thermodynamic properties and dielectric constants in water/methanol mixtures by integral equation theory and molecular dynamics simulations

2002 ◽  
Vol 4 (6) ◽  
pp. 942-948 ◽  
Author(s):  
Bjørn Kvamme
Keyword(s):  
Molecular Dynamics ◽  
Integral Equation ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Dielectric Constants ◽  
Integral Equation Theory ◽  
Dynamics Simulations

scholarly journals Comparisons between integral equation theory and molecular dynamics simulations for realistic models of polyethylene liquids

1999 ◽  
Vol 111 (19) ◽  
pp. 9073-9081 ◽  
Author(s):  
John G. Curro ◽  
Edmund B. Webb ◽  
Gary S. Grest ◽  
Jeffrey D. Weinhold ◽  
Mathias Pütz ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Integral Equation ◽  
Molecular Dynamics Simulations ◽  
Integral Equation Theory ◽  
Dynamics Simulations

Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations

1996 ◽  
Vol 17 (6) ◽  
pp. 1349-1363 ◽  
Author(s):  
C. Kriebel ◽  
A. M�ller ◽  
M. Mecke ◽  
J. Winkelmann ◽  
J. Fischer
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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