Nereis. Interdisciplinary Ibero-American Journal of Methods, Modelling and Simulation.

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Calorimetric and Computational Study of Enthalpy of Formation of Acetone Diperoxide

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Abstract

A rather simple thermochemical experimental technique was applied to determine the enthalpy of formation of Diperoxide of acetone. The study is complemented with theoretical calculations ab initio and by the density functional theory (DFT) procedure

 

Keywords: DPAC, heat of formation, DFT calculation

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