Determining Force Field Parameters Using a Physically Based Equation of State-Reference-Cited by-同舟云学术

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Determining Force Field Parameters Using a Physically Based Equation of State

Published:2011-05-31 Issue:24 Volume:115 Page:7872-7880
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

van Westen Thijs¹,Vlugt Thijs J. H.¹,Gross Joachim¹²

Affiliation:

1. Process and Energy Laboratory, Delft University of Technology, Leeghwaterstraat 44, 2628CA Delft, The Netherlands

2. Institut für Technische Thermodynamik und Thermische Verfahrenstechnik, University of Stuttgart, Pfaffenwaldring 9, 70569 Stuttgart, Germany

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2026219

Reference33 articles.

1. Molecular mechanics. The MM3 force field for hydrocarbons. 1

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

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

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