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TPT coefficients for ellipsoidal molecules

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dc.contributor.author Souza, Nathan Barros de
dc.contributor.author Lopes, Joyce Tavares
dc.contributor.author Franco, Luís Fernando Mercier
dc.date 2021-07-30
dc.date.accessioned 2021-07-22
dc.identifier.uri https://doi.org/10.25824/redu/M7KBVO
dc.identifier.uri https://redu.unicamp.br/dataset.xhtml?persistentId=doi:10.25824/redu/M7KBVO
dc.description 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
dc.description.sponsorship Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP
dc.format application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
dc.publisher Franco, Luís Fernando Mercier
dc.subject Engineering
dc.title TPT coefficients for ellipsoidal molecules
dc.description.sponsorshipId FAPESP: 2018/02713-8


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