%0 Journal Article
%T Calorimetric and Computational Study of Enthalpy of Formation of Diperoxide of Cyclohexanone
%A Jorge Marcelo Romero
%A Soledad Bustillo
%A Hugo Enrique Ramirez Maisuls
%A Nelly Lidia Jorge
%A Manuel Eduardo G¨Žmez Vara
%A Eduardo Alberto Castro
%A Alicia H. Jubert
%J International Journal of Molecular Sciences
%D 2007
%I MDPI AG
%R 10.3390/i8070688
%X A thermochemical rather simple experimental technique is applied to determinethe enthalpy of formation of Diperoxide of ciclohexanone. The study is complemented withsuitable theoretical calculations at the semiempirical and ab initio levels. A particularsatisfactory agreement between both ways is found for the ab initio calculation at the 6-311G basis This set level. Some possible extensions of the present procedure are pointedout.
%K tetroxane
%K diperoxide
%K enthalpy of formation
%K heat.
%U http://www.mdpi.com/1422-0067/8/7/688