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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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Detalles Bibliográficos
Autores principales: Meftahi, Nastaran, Walker, Michael L., Enciso, Marta, Smith, Brian J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6021403/
https://www.ncbi.nlm.nih.gov/pubmed/29950681
http://dx.doi.org/10.1038/s41598-018-28105-6