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.

Naef, Rudolf; Acree, William E

Naef, Rudolf; Acree, William E.

Afiliação

Naef R; Department of Chemistry, University of Basel, Basel 4003, Switzerland. rudolf.naef@unibas.ch.
Acree WE; Department of Chemistry, University of North Texas, Denton, TX 76203, USA. acree@unt.edu.

Molecules ; 22(7)2017 Jun 25.

Article em En | MEDLINE | ID: mdl-28672839

Assuntos

Cristais Líquidos/química; Algoritmos; Entropia; Solventes/química; Termodinâmica

Palavras-chave

enthalpy of solvation; enthalpy of sublimation; enthalpy of vaporization; entropy of fusion; group-additivity method; total phase-change entropy; tpc entropy

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Cristais Líquidos Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2017 Tipo de documento: Article

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