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A Way towards Reliable Predictive Methods for the Prediction of Physicochemical Properties of Chemicals Using the Group Contribution and other Methods
2019
Applied Sciences
Physicochemical properties of chemicals as referred to in this review include, for example, thermodynamic properties such as heat of formation, boiling point, toxicity of molecules and the fate of molecules whenever undergoing or accelerating (catalytic) a chemical reaction and therewith about chemical equilibrium, that is, the equilibrium in chemical reactions. All such properties have been predicted in literature by a variety of methods. However, for the experimental scientist for whom such
doi:10.3390/app9081700
fatcat:eboactp6hjdqrk5uicnio4sxma