Benchmarking of Molecular Dynamics Force Fields for Solid–Liquid and Solid–Solid Phase Transitions in Alkanes-Reference-Cited by-同舟云学术

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Benchmarking of Molecular Dynamics Force Fields for Solid–Liquid and Solid–Solid Phase Transitions in Alkanes

Published:2021-03-16 Issue:19 Volume:125 Page:5145-5159
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Burrows Stephen A.¹^ORCID,Korotkin Ivan²,Smoukov Stoyan K.¹^ORCID,Boek Edo¹^ORCID,Karabasov Sergey³

Affiliation:

1. Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.

2. Mathematical Sciences, University of Southampton, Southampton SO17 1BJ, U.K.

3. Aerospace Engineering and Fluid Mechanics, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.

Funder

Engineering and Physical Sciences Research Council

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/acs.jpcb.0c07587

Reference80 articles.

1. Rotator phases of the normal alkanes: An x‐ray scattering study

2. Transient rotator phase induced nucleation in n -alkane melts

3. New Ordered Metastable Phases between the Gel and Subgel Phases in Hydrated Phospholipids

4. n-Alkanes Phase Change Materials and Their Microencapsulation for Thermal Energy Storage: A Critical Review

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