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SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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added Kong mixing rules #37

Closed SimonEnsemble closed 6 years ago

SimonEnsemble commented 6 years ago

see doi: 10.1063/1.1680358. I checked the result for Xe-C interactions, comparing against the Lorenz-Berthelot rules. The cross interactions differ significantly but not too significantly.