Molecular Dynamics Simulations and Integral Equation Theory of Alkane Chains:  Comparison of Explicit and United Atom Models

2003 ◽  
Vol 36 (6) ◽  
pp. 2158-2164 ◽  
Author(s):  
Mesfin Tsige ◽  
John G. Curro ◽  
Gary S. Grest ◽  
John D. McCoy
Keyword(s):  
Molecular Dynamics ◽  
Integral Equation ◽  
Molecular Dynamics Simulations ◽  
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
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