The Enthalpy of Formation of Substituted Phenols and Dihydroxybenzenes for a Group Contribution Method with “Chemical Accuracy”
In this paper we validate Group Contribution (GC) parameters for substituted phenols and dihydroxybenzenes including catechol, resorcinol and hydroquinone with respect to a recently developed Group Contribution method for estimating the heat of formation of organic compounds with chemical accuracy (1 kcal/mol). For the...