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    Browsing Division of Chemical Sciences by Subject "Ab Initio Molecular Dyamics"

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      • Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations 

        Jindal, Aman
        Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ...

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