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TPT coefficients for cylindrical and spherocylindrical molecules

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DataCite Commons2023-10-09 更新2025-04-17 收录
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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.

创建时间:
2022-01-05
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