Group Contribution Revisited: The Enthalpy of Formation of Organic Compounds with “Chemical Accuracy”
Author:
Affiliation:
1. Pro-Deo Consultant, 52525 Heinsberg, North-Rhine Westphalia, Germany
Publisher
MDPI
Link
https://www.mdpi.com/2673-4591/37/1/56/pdf
Reference15 articles.
1. Estimation of the free enthalpy (Gibbs free energy) of formation of organic compounds from group contributions;Chermin;Chem. Eng. Sci.,1951
2. (2023, February 21). ICAS23 Software Package Which Includes the Marrero-Gani Method as Well as the Constantinou-Gani Approach and Also Provides Results Based on the Joback and Reid GC Method. Available online: https://www.kt.dtu.dk/english/research/kt-consortium/software.
3. A method to estimate the enthalpy of formation of organic compounds with chemical accuracy;Hukkerikar;Fluid Phase Equilibria,2013
4. Enthalpy of Formation Modeling Using Third Order Group Contribution Technics and Calculation by DFT Method;Kadda;Int. J. Thermodyn.,2020
5. Meier, R.J. (2021). Group contribution revisited: The enthalpy of formation of organic compounds with “chemical accuracy”. ChemEngineering, 5.
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