Molecular dynamics simulation of initial thermal decomposition mechanism of DNTF
Hui Bai, Yiming Luo, Jun Jiang, Ruijun Gou, Shuhai Zhang, Wenjun Hu
Topics & Concepts
Thermal decompositionFuroxanMolecular dynamicsChemistryDecompositionReaction mechanismComputational chemistryReaction rate constantCluster (spacecraft)Chemical decompositionThermodynamicsChemical physicsKineticsOrganic chemistryPhysicsNitric oxideCatalysisComputer scienceQuantum mechanicsProgramming languageEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure