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Parametrizing hydrogen bond interactions in dissipative particle dynamics simulations: The case of water, methanol and their binary mixtures

Gökhan Kaçar, Gijsbertus de With

2020Journal of Molecular Liquids26 citationsDOIOpen Access PDF

Topics & Concepts

Dissipative particle dynamicsHydrogen bondChemistryMolecular dynamicsRadial distribution functionThermodynamicsMethanolEnthalpyMole fractionComputational chemistryChemical physicsPhysical chemistryMoleculeOrganic chemistryPhysicsPolymerMaterial Dynamics and PropertiesBlock Copolymer Self-AssemblyProtein Structure and Dynamics
Parametrizing hydrogen bond interactions in dissipative particle dynamics simulations: The case of water, methanol and their binary mixtures | Litcius