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TPT coefficients for cylindrical and spherocylindrical molecules

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REDU2022-01-01 更新2026-05-11 收录
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https://redu.unicamp.br/citation?persistentId=doi:10.25824/redu/OCYCOL
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This data set comprises calculated values of the perturbed Helmholtz free energy coefficients, considering both cylinders and spherocylinders as the reference term and an attractive spherically symmetric square-well potential as the perturbed term. Also, in the case of spherocylinders, data for a Kihara potential are reported. All the calculations were performed with Monte Carlo simulations.
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2022-01-01
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