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Benchmarking of Molecular Dynamics Force Fields for Solid-Liquid and Solid-Solid Phase Transitions in Alkanes.
Burrows, Stephen A; Korotkin, Ivan; Smoukov, Stoyan K; Boek, Edo; Karabasov, Sergey.
Affiliation
  • 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.
J Phys Chem B ; 125(19): 5145-5159, 2021 05 20.
Article in En | MEDLINE | ID: mdl-33724846
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2021 Document type: Article Affiliation country: United kingdom Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2021 Document type: Article Affiliation country: United kingdom Country of publication: United States