Impact of regioisomerism on unimolecular decomposition reactions of energetic materials: Quantum chemistry modeling of ICM-103 and NAPTO
Zixuan Yang, Shuangfei Zhu, Le Zhang, Guangrui Liu, Shangbiao Feng, Yahong Chen, Shuhai Zhang, Shuhai Zhang
Topics & Concepts
ChemistryDecompositionEnergetic materialComputational chemistryQuantum chemicalQuantum chemistryQuantumPhysical chemistryAerospace engineeringOrganic chemistryReaction mechanismQuantum mechanicsMoleculeCatalysisExplosive materialEngineeringPhysicsEnergetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research