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Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths

Guilherme Carneiro Queiroz da Silva, Gabriel M. Silva, Frederico W. Tavares, Felipe P. Fleming, Bruno A. C. Horta

2022Journal of Molecular Liquids14 citationsDOI

Topics & Concepts

Force field (fiction)AlkaneThermodynamicsDodecaneChemistrySurface tensionOctaneVaporizationAtom (system on chip)Root mean squareViscosityHexadecaneEnthalpy of vaporizationHydrocarbonOrganic chemistryEnthalpyPhysicsQuantum mechanicsComputer scienceEmbedded systemPhase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesChemical Thermodynamics and Molecular Structure
Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths | Litcius