TPT coefficients for ellipsoidal molecules

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
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