Litcius/Paper detail

Design and performance evaluation of nitrogen-rich bis-six-membered fused ring energetic materials via density functional theory

Qian Zhang, You-Xiang Guo, Tao Long, Lan-Ying Xu, Yan Huang

2025Journal of Molecular Modeling13 citationsDOI

Topics & Concepts

Density functional theoryRing (chemistry)NitrogenComputational chemistryChemistryMaterials scienceOrganic chemistryEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure