Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols-Reference-Cited by-同舟云学术

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Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols

Published:2005-09 Issue:1-2 Volume:236 Page:25-41
ISSN:0378-3812
Container-title:Fluid Phase Equilibria
language:en
Short-container-title:Fluid Phase Equilibria

Author:

Boutard Y.,Ungerer Ph.,Teuler J.M.,Ahunbay M.G.,Sabater S.F.,Pérez-Pellitero J.,Mackie A.D.,Bourasseau E.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering

Reference49 articles.

1. Molecular dynamics calculation of the equation of state of alkanes;Toxvaerd;J. Chem. Phys.,1990

2. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes;Ungerer;J. Chem. Phys.,2000

3. Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation – new anisotropic united atoms potential – new transfer bias method;Bourasseau;J. Phys. Chem. B,2002

4. Monte Carlo simulation of branched alkanes and long chain n-alkanes with anisotropic united atoms intermolecular potential;Bourasseau;Mol. Simulat.,2002

5. New optimization method for intermolecular potentials – optimization of a new anisotropic united atoms potential for olefins – prediction of equilibrium properties;Bourasseau;J. Chem. Phys.,2003

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2. Computer modeling of thermotransport in a uniform binary liquid solution with equimolar n-alkane mixtures;Physics of Fluids;2023-11-01

3. Development of a new force field for the family of primary aliphatic amines using the three steps systematic parameterization procedure;Condensed Matter Physics;2023

4. Insights from molecular simulations on liquid slip over nanostructured surfaces;Journal of Molecular Modeling;2022-10-07

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