https://www.selleckchem.com/pr....oducts/pf-2545920.ht
The hardness of the effective inverse power law (IPL) potential, which can be obtained from thermodynamics or collision integrals, can be used to demonstrate similarities between thermodynamic and transport properties. This link is investigated for systems of increasing complexity (i.e., the EXP, square-well, Lennard-Jones, and Stockmayer potentials; ab initio results for small molecules; and rigid linear chains of Lennard-Jones sites). These results show that while the two approaches do not yield precisely the same values of effecti
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