TPT coefficients for ellipsoidal molecules

dc.contributorFranco, Luís Fernando Mercier
dc.creatorSouza, Nathan Barros de
dc.creatorLopes, Joyce Tavares
dc.creatorFranco, Luís Fernando Mercier
dc.date.accessioned2022-12-16T13:22:17Z
dc.date.available2022-12-16T13:22:17Z
dc.identifierhttps://doi.org/10.25824/redu/M7KBVO
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/5363116
dc.descriptionThis 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
dc.publisherRepositório de Dados de Pesquisa da Unicamp
dc.subjectEngineering
dc.subjectThermodynamic perturbation theory
dc.subjectMonte Carlo simulations
dc.subjectNonspherical molecules
dc.titleTPT coefficients for ellipsoidal molecules


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