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- W4377012358 abstract "Molecular interactions in the quaternary fluid system acetic acid–n-propanol–n-propyl acetate–water were analyzed by classical and ab initio molecular dynamics methods. It was shown that ab initio molecular dynamics simulation can reproduce the molecular mobility tendency and structural features of a multicomponent system without empirical parameters." @default.
- W4377012358 created "2023-05-19" @default.
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- W4377012358 date "2023-05-01" @default.
- W4377012358 modified "2023-10-16" @default.
- W4377012358 title "Comparative analysis of molecular interactions in quaternary fluid system performed by classical and ab initio molecular dynamics" @default.
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- W4377012358 doi "https://doi.org/10.1016/j.mencom.2023.04.036" @default.
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