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TPT coefficients for ellipsoidal molecules

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REDU2021-01-01 更新2026-05-11 收录
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https://redu.unicamp.br/citation?persistentId=doi:10.25824/redu/M7KBVO
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This data set comprises calculated values of the perturbed Helmholtz free energy coefficients, considering a Hard Gaussian Overlap fluid as the reference term and an attractive spherically symmetric square-well potential as the perturbed term. All the calculations were performed with Monte Carlo simulations. The code is available at: https://github.com/LESC-Unicamp/TPT-coefficients-for-ellipsoidal-molecules
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2021-01-01
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