화학공학소재연구정보센터
Journal of Chemical and Engineering Data, Vol.54, No.6, 1829-1835, 2009
Ab Initio Calculations of Carbon-Containing Species and Comparison with Group Additivity Results. Part II. C(4) Species
The thermochemistry of 34 C(4) compounds and radicals related to combustion processes have been calculated using the ab initio G3B3 method. The results have been compared to group additivity results and literature values if available. Three different group additivity programs were used, and results concerning the comparison are given.