Estimation of activation energies of thermal decomposition of nitro compounds based on structural descriptorsстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The structure-property correlation equations for the activation energies of thermal decomposition of nitro compounds in the gaseous phase were obtained based on structural descriptors. The equations were constructed using the BIBIGON computing program system for the data base, which consists of 90 nitro compounds belonging to various chemical classes; the correlation coefficientR is 0.986.