摘要
以分子拓朴指数（分子价连通性指数）作为分子结构的数值化方法，定量地研究了某些硝胺和脂肪族硝基化合物的冲击波感度（ＳＳ）与分子结构的关系。结果表明，零级和一级分子价连通性指数与冲击波感度之间线性相关系数均大于０．９５。由此可以看出，将分子拓朴指数引入含能化合物的结构与性质的相关性研究是可行的。
The correlations of shock sensitivity(SS)with molecular structure for some nitramines and nitroaliphatics were investigated quantitatively by using the topological index(molecular valence connectivity) as the molecular structure numerical representation approach. The results show that good correlations exist in the zero order connectivity or the first order connectivity──shock sensitivity relationships, and all correlation coeffieients are greater than 0. 95. Hence, it is valid to intruduce topological indexes into structure-property correlation investigations.
出处
《推进技术》
EI
CAS
CSCD
北大核心
1995年第2期61-66,84,共7页
Journal of Propulsion Technology
关键词
硝胺
硝基化合物
分子结构
冲击感度
Nitramine, Nitro compound, Molecular structure, Molecular topologizing index
