Blurock, Edward S.; Warth, Valérie; Grandmougin, Xavier; … - In: Energy 43 (2012) 1, pp. 161-171
JTHERGAS is a versatile calculator (implemented in JAVA) to estimate thermodynamic information from two-dimensional graphical representations of molecules and radicals involving covalent bonds based on the Benson additivity method. The versatility of JTHERGAS stems from its inherent philosophy...