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 Metadata

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Title

  • Main Title 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

Creator

  • Author: Naef, Rudolf
    Creator Type: Personal
    Creator Info: University of Basel
  • Author: Acree, William E. (William Eugene)
    Creator Type: Personal
    Creator Info: University of North Texas

Publisher

  • Name: Multidisciplinary Digital Publishing Institute
    Place of Publication: Basel, Switzerland

Date

  • Creation: 2017-06-25

Language

  • English

Description

  • Content Description: This article presents the calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules using a common computer algorithm on the basis of a group-additivity method.
  • Physical Description: 41 p.

Subject

  • Keyword: enthalpy of vaporization
  • Keyword: enthalpy of sublimation
  • Keyword: enthalpy of solvation
  • Keyword: entropy of fusion
  • Keyword: total phase-change entropy
  • Keyword: tpc entropy
  • Keyword: group-additivity method

Source

  • Journal: Molecules, 2017. Basel, Switzerland: Multidisciplinary Digital Publishing Institute

Citation

  • Publication Title: Molecules
  • Volume: 22
  • Pages: 1-41
  • Peer Reviewed: True

Collection

  • Name: UNT Scholarly Works
    Code: UNTSW

Institution

  • Name: UNT College of Arts and Sciences
    Code: UNTCAS

Rights

  • Rights Access: public
  • Rights License: by

Resource Type

  • Article

Format

  • Text

Identifier

  • DOI: 10.3390/molecules22071059
  • Archival Resource Key: ark:/67531/metadc984102

Degree

  • Academic Department: Chemistry