Cocrystals of polynitrogen compounds as a basis for promising energetic materials: crystal structure prediction methods, their experimental verification, and evaluation of cocrystal properties
Russian Chemical Bulletin（2024）
关键词
crystal structure modeling,atom-atom potentials,density functional theory (DFT),polynitrogen heterocyclic compounds,enthalpy of sublimation,enthalpy of formation,molecular crystal density,detonation parameters
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