Novel fluorine-containing energetic materials: how potential are they? A computational study of detonation performance
Jing Yang, Tiantian Bai, Junxia Guan, Minbei Li, Ziyu Zhen, Xiangyi Dong, Yahui Wang, Yu Wang
Topics & Concepts
DetonationDensity functional theoryFluorineDetonation velocitySensitivity (control systems)Standard enthalpy of formationGaussianComputational chemistryChemistryPotential energy surfaceMaterials scienceThermodynamicsMoleculePhysical chemistryExplosive materialPhysicsOrganic chemistryElectronic engineeringEngineeringEnergetic Materials and CombustionCombustion and Detonation ProcessesRocket and propulsion systems research