Mechanism of thermal unimolecular decomposition of TNT (2,4,6- trinitrotoluene): A DFT study

Chemical Compounds

• 2,4,6-trinitrotoluene 100%
• Homolysis 79%
• Decomposition 48%
• Density Functional Theory 46%
• Detonation 30%
• Shock Wave 17%
• Ambient Reaction Temperature 13%
• Thermolysis 12%
• Aromatic Structure 10%
• Pyrolysis 8%
• Pressure 7%

Physics & Astronomy

• trinitrotoluene 99%
• decomposition 56%
• detonation 25%
• temperature 18%
• rings 17%
• organic compounds 15%
• room temperature 13%
• thermal decomposition 13%
• attack 13%
• explosions 11%
• shock waves 10%
• thermodynamic properties 10%
• kinetics 7%
• propagation 7%