Benchmarking of Molecular Dynamics Force Fields for Solid-Liquid and Solid-Solid Phase Transitions in Alkanes.
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| Title: | Benchmarking of Molecular Dynamics Force Fields for Solid-Liquid and Solid-Solid Phase Transitions in Alkanes. |
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| Authors: | Burrows SA; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K., Korotkin I; Mathematical Sciences, University of Southampton, Southampton SO17 1BJ, U.K., Smoukov SK; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K., Boek E; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K., Karabasov S; Aerospace Engineering and Fluid Mechanics, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K. |
| Source: | The journal of physical chemistry. B [J Phys Chem B] 2021 May 20; Vol. 125 (19), pp. 5145-5159. Date of Electronic Publication: 2021 Mar 16. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1520-5207 |
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| DOI: | 10.1021/acs.jpcb.0c07587 |
