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Data · dataset · 2022

TPT coefficients for ellipsoidal molecules

Listed in REDU - Unicamp Institutional Research Data Repository

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: github.com/LESC-Unicamp/TPT-coefficients-for-ellipsoidal-molecules

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Catalogue records · 1

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Engineering
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Engineering
Provenance · 1 source records, 9 field assertions
SourceKeyLast seenRaw
REDU - Unicamp Institutional Research Data Repositorydoi:10.25824/redu/M7KBVO10 d agoJSON v1
FieldAssertionExtractorEvidence
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