Individualized force fields for alkanes, olefins, ethers and ketones based on the transferable anisotropic Mie potential
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DOI: 10.1016/j.fluid.2018.02.012
Abstract: Abstract Transferable force fields allow the prediction of physical properties for substances with scarce or absent experimental data. For substances with a comprehensive experimental database, however, transferable force fields produce results with higher errors than… read more here.
Keywords: experimental data; force; force fields; transferable force ... See more keywords