Dissipative Particle Dynamics with an Effective Pair Potential from Integral Equation Theory of Molecular Liquids

2014 ◽  
Vol 118 (41) ◽  
pp. 12034-12049 ◽  
Author(s):  
Alexander E. Kobryn ◽  
Dragan Nikolić ◽  
Olga Lyubimova ◽  
Sergey Gusarov ◽  
Andriy Kovalenko
Keyword(s):  
Integral Equation ◽  
Dissipative Particle Dynamics ◽  
Pair Potential ◽  
Particle Dynamics ◽  
Integral Equation Theory ◽  
Molecular Liquids ◽  
Effective Pair Potential ◽  
Effective Pair

A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia

1999 ◽  
Vol 97 (10) ◽  
pp. 1129-1137 ◽  
Author(s):  
T. Kristof, J. Vorholz, J. Liszi, B. R
Keyword(s):  
Thermodynamic Properties ◽  
Molecular Simulation ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

A test of an effective pair potential for liquid water

1983 ◽  
Vol 79 (5) ◽  
pp. 2496-2498 ◽  
Author(s):  
Michael Townsend ◽  
Stuart A. Rice ◽  
Michael D. Morse
Keyword(s):  
Liquid Water ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

Effective Pair Potential and Thermodynamic Properties of Liquid Noble Metals

1982 ◽  
Vol 109 (1) ◽  
pp. 137-144 ◽  
Author(s):  
R. N. Joarder ◽  
R. V. Gopala Rao
Keyword(s):  
Thermodynamic Properties ◽  
Noble Metals ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

scholarly journals Fast and General Method To Predict the Physicochemical Properties of Druglike Molecules Using the Integral Equation Theory of Molecular Liquids

2015 ◽  
Vol 12 (9) ◽  
pp. 3420-3432 ◽  
Author(s):  
David S. Palmer ◽  
Maksim Mišin ◽  
Maxim V. Fedorov ◽  
Antonio Llinas
Keyword(s):  
Integral Equation ◽  
Physicochemical Properties ◽  
Integral Equation Theory ◽  
Molecular Liquids ◽  
General Method

A path integral Monte Carlo study of liquid neon and the quantum effective pair potential

1984 ◽  
Vol 81 (6) ◽  
pp. 2523-2527 ◽  
Author(s):  
D. Thirumalai ◽  
Randall W. Hall ◽  
B. J. Berne
Keyword(s):  
Monte Carlo ◽  
Path Integral ◽  
Pair Potential ◽  
Monte Carlo Study ◽  
Path Integral Monte Carlo ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Liquid Neon

The water monomer on the prism face of ice and above a four layer ice basal face ledge: An effective pair potential model

1981 ◽  
Vol 75 (4) ◽  
pp. 1991-1995 ◽  
Author(s):  
Barbara N. Hale ◽  
Jerry Kiefer ◽  
Carolyn A. Ward
Keyword(s):  
Potential Model ◽  
Pair Potential ◽  
Basal Face ◽  
Prism Face ◽  
Effective Pair Potential ◽  
Effective Pair

Effective pair potential for random fcc CoCrFeMnNi alloys

2020 ◽  
Vol 28 (7) ◽  
pp. 075006 ◽  
Author(s):  
R Gröger ◽  
V Vitek ◽  
A Dlouhý
Keyword(s):  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

Effective Pair Potential for Solid Molecular Hydrogen at High Pressures

2012 ◽  
Vol 168 (5-6) ◽  
pp. 275-284 ◽  
Author(s):  
Massimo Moraldi
Keyword(s):  
Molecular Hydrogen ◽  
High Pressures ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair
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