# Publications

The following publications refer to the software package ChemBrain IXL and can be downloaded as PDF-files:

- R. Naef, A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability.
*Molecules***2015**, 20, 18279-18351; doi:10.3390/molecules201018279. - R. Naef, W. E. Acree Jr., 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.
*Molecules***2017**, 22, 1059; doi:10.3390/molecules22071059. - R. Naef, W. E. Acree Jr., Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution.
*Molecules***2018**, 23, 5; doi:10.3390/molecules23010005. - R. Naef, W. E. Acree Jr., Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method.
*Molecules***2018**, 23, 1224; doi:10.3390/molecules23051224. - R. Naef, Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume.
*Molecules***2019**, 24, 1626; doi:10.3390/molecules24081626 - R. Naef, Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at 298.15K by Means of the Group-Additivity Method.
*Molecules***2020**, 25, 1147; doi:10.3390/molecules25051147. - R. Naef, W. E. Acree Jr., Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K.
*Molecules***2021**, 26, 1045; doi.org/10.3390/molecules26041045. - R. Naef, W. E. Acree Jr., Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules.
*Molecules***2021**, 26, 6101. doi.org/10.3390/molecules26206101. - R. Naef, W. E. Acree Jr., Revision and Extension of a Generally Applicable Group Additivity Method for the Calculation of the Refractivity and Polarizability of Organic Molecules at 298.15 K. Liquids
**2022**, 2, 327–377. https://doi.org/10.3390/liquids2040020. - R. Naef, W. E. Acree Jr., Calculation of the Three Partition Coefficients logPow, logKoa and logKaw of Organic Molecules at Standard Conditions at Once by Means of a Generally Applicable Group-Additivity Method. Liquids
**2024**, 4, 231–260. https://doi.org/10.3390/liquids4010011.