scholarly journals Adsorption of Polymeric Lattice Fluids at a Noninteracting Hard Wall:  A Comparison of Discretized Polymer-Reference Interaction Site Model (RISM) Theory, Scheutjens−Fleer Theory, and Monte Carlo Simulations

Langmuir ◽  
1997 ◽  
Vol 13 (10) ◽  
pp. 2784-2790 ◽  
Author(s):  
R. H. C. Janssen ◽  
E. Nies ◽  
P. Cifra
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Hard Wall ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site

scholarly journals Early stages of aggregation in fluid mixtures of dimers and spheres: a theoretical and simulation study

2021 ◽  
Author(s):  
Gianmarco Munao ◽  
Santi Prestipino ◽  
Dino Costa
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simple Model ◽  
Simulation Study ◽  
Interaction Site ◽  
Molecular Fluids ◽  
Fluid Mixtures ◽  
Site Model ◽  
Early Stages ◽  
Reference Interaction Site

We use Monte Carlo simulation and the Reference Interaction Site Model (RISM) theory of molecular fluids to investigate a simple model of colloidal mixture consisting of dimers, made up of...

Role of Mg2+Ions in DNA Hydrolysis byEcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

2018 ◽  
Vol 122 (39) ◽  
pp. 9061-9075 ◽  
Author(s):  
Itaru Onishi ◽  
Shunya Sunaba ◽  
Norio Yoshida ◽  
Fumio Hirata ◽  
Masayuki Irisa
Keyword(s):  
Molecular Dynamics ◽  
Dna Hydrolysis ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site

Multigrid solver for the reference interaction site model of molecular liquids theory

2011 ◽  
Vol 32 (9) ◽  
pp. 1982-1992 ◽  
Author(s):  
Volodymyr P. Sergiievskyi ◽  
Wolfgang Hackbusch ◽  
Maxim V. Fedorov
Keyword(s):  
Molecular Liquids ◽  
Multigrid Solver ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site
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