Article ID Journal Published Year Pages File Type
5394219 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract
► This work studies heats of formation of polycyclic saturated hydrocarbon isomers. ► Recently developed density functionals were used for calculation of the heats of formation. ► They were applied for predictions of heats of formation of nine isomers of the JP-10 jet fuel.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Reliable approach for prediction of heats of formation of polycyclic saturated hydrocarbons using recently developed density functionals
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