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Predicting the Enthalpy and Gibbs Energy of Sublimation by QSPR Modeling

The enthalpy and Gibbs energy of sublimation are predicted using quantitative structure property relationship (QSPR) models. In this study, we compare several approaches previously reported in the literature for predicting the enthalpy of sublimation. These models, which were reproduced successfully...

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Détails bibliographiques
Publié dans:Sci Rep
Auteurs principaux: Meftahi, Nastaran, Walker, Michael L., Enciso, Marta, Smith, Brian J.
Format: Artigo
Langue:Inglês
Publié: Nature Publishing Group UK 2018
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6021403/
https://ncbi.nlm.nih.gov/pubmed/29950681
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-28105-6
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