CL-20热分解反应机理的ReaxFF分子动力学模拟
任春醒,李晓霞,郭力

Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations
Chunxing REN,Xiaoxia LI,Li GUO
Fig 10 Reaction pathways on the formation and interactions of nitrogen oxides and OH radicals involved in the fragmentation stage of CL-20 thermolysis obtained in ReaxFF MD simulations.