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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.
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
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DbLabel: MEDLINE Ultimate
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Benchmarking of Molecular Dynamics Force Fields for Solid-Liquid and Solid-Solid Phase Transitions in Alkanes.
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  Data: <searchLink fieldCode="AU" term="%22Burrows+SA%22">Burrows SA</searchLink>; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.<br /><searchLink fieldCode="AU" term="%22Korotkin+I%22">Korotkin I</searchLink>; Mathematical Sciences, University of Southampton, Southampton SO17 1BJ, U.K.<br /><searchLink fieldCode="AU" term="%22Smoukov+SK%22">Smoukov SK</searchLink>; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.<br /><searchLink fieldCode="AU" term="%22Boek+E%22">Boek E</searchLink>; Chemical Engineering and Renewable Energy, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.<br /><searchLink fieldCode="AU" term="%22Karabasov+S%22">Karabasov S</searchLink>; Aerospace Engineering and Fluid Mechanics, School of Engineering and Materials Science, Queen Mary University of London, London E1 4NS, U.K.
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  Data: <searchLink fieldCode="JN" term="%22101157530%22">The journal of physical chemistry. B</searchLink> [J Phys Chem B] 2021 May 20; Vol. 125 (19), pp. 5145-5159. <i>Date of Electronic Publication: </i>2021 Mar 16.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101157530 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1520-5207 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215205207%22">15205207 </searchLink><i>NLM ISO Abbreviation: </i>J Phys Chem B <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1021/acs.jpcb.0c07587
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        Text: English
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              Text: 2021 May 20
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