Water molecules can significantly increase the explosive sensitivity of Nitrotriazolone (NTO) in storage and transport
Rongbin Wei, Zhongjie Fei, Mehdi Yoosefian
Topics & Concepts
Intermolecular forceDensity functional theoryChemistryProtonMoleculeTautomerExplosive materialMaxima and minimaComputational chemistryNatural bond orbitalSensitivity (control systems)Transition stateThermodynamicsChemical physicsPhysicsStereochemistryOrganic chemistryMathematical analysisEngineeringMathematicsElectronic engineeringCatalysisQuantum mechanicsEnergetic Materials and CombustionChemical Reaction MechanismsNonlinear Optical Materials Research