Research progress in correlation beween molecular structure and sensitivity of energetic materials was reviewed.The results show that the impact sensitivity of nitroaromatics is related to the strength of C-NO₂ bond,the shock sensitivity of nitramine and nitroaliphatic compounds is related to the number,length of N-NO₂ bonds and molecular weight,which demonstrate that the structure characteristics of energetic materials do affect its sensitivities.These results are importance to study the characteristics and develop new energetic materials.