Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths-Reference-Cited by-同舟云学术

Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths

Published:2022-05 Issue: Volume:354 Page:118829
ISSN:0167-7322
Container-title:Journal of Molecular Liquids
language:en
Short-container-title:Journal of Molecular Liquids

Author:

da Silva Guilherme C.Q.,Silva Gabriel M.,Tavares Frederico W.,Fleming Felipe P.,Horta Bruno A.C.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Publisher

Elsevier BV

Subject

Materials Chemistry,Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Reference67 articles.

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2. Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations;Klein;J. Phys. Chem. B,2020

3. Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes;Martin;J. Phys. Chem. B,1998

4. Optimization of the OPLS-AA Force Field for Long Hydrocarbons;Siu;J. Chem. Theory Comput.,2012

5. Coarse grained model for semiquantitative lipid simulations;Marrink;J. Phys. Chem. B,2004

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