Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities-Reference-Cited by-同舟云学术

Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities

Published:2006-10 Issue:1 Volume:248 Page:50-55
ISSN:0378-3812
Container-title:Fluid Phase Equilibria
language:en
Short-container-title:Fluid Phase Equilibria

Author:

Martin Marcus G.

Publisher

Elsevier BV

Subject

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

Reference38 articles.

1. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes

2. On the simulation of vapor–liquid equilibria for alkanes

3. Optimization of the anisotropic united atoms intermolecular potential forn-alkanes

4. Optimized step potential models for n-alkanes and benzene

5. Computer simulations of poly(ethylene oxide): force field, pvt diagram and cyclization behaviour

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