Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives
Júlio César Duarte, Romulo Dias da Rocha, Itamar Borges
Abstract
≳ 200 cm), all four properties essentially contribute to increasing it. These results furnish a consistent molecular basis of the sensitivities of known explosives that also can be used for developing safer new ones.
Topics & Concepts
Explosive materialSensitivity (control systems)Explosive detectionComputer scienceBiochemical engineeringChemistryMaterials scienceNanotechnologyEngineeringOrganic chemistryElectronic engineeringEnergetic Materials and CombustionComputational Drug Discovery MethodsCrystallography and molecular interactions