Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals

The calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules is presented using a common computer algorithm on the basis of a group-additivity method. The same algorithm is also shown to enable the calculation of their entropy of fusion as well as the to...

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Detalles Bibliográficos
Autores principales: Naef, Rudolf, Acree, William E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152037/
https://www.ncbi.nlm.nih.gov/pubmed/28672839
http://dx.doi.org/10.3390/molecules22071059

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152037/
https://www.ncbi.nlm.nih.gov/pubmed/28672839
http://dx.doi.org/10.3390/molecules22071059

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