Initial decomposition mechanism of 3-nitro-1,2,4-triazol-5-one (Nto) under shock loading: Reaxff parameterization and molecular dynamic study

Chemistry

• Energetics 100%
• Equation of State 100%
• Molecular Dynamics Study 100%
• 1,3,5-triazine 50%
• Heterocyclic Compound 50%
• Dihedral Angle 50%
• Chain Reaction 50%
• Quantum Mechanics 50%
• Nitrogen Dioxide 50%
• Reactive Molecular Dynamics 50%
• Hydrogen Transfer 50%
• Shock Wave 50%
• Complex Reaction Mechanisms 50%

Chemical Engineering

• Hydrogen Transfer 100%

Engineering

• Dissociation Curve 50%