Theoretical calculations of the thermal decomposition kinetics of several tert-nitroalkanes in the gas phase

Keyphrases

• Gas Phase 100%
• Thermal Decomposition Kinetics 100%
• Tert 100%
• Nitroalkanes 100%
• Methyl 66%
• B3PW91 66%
• Kinetic Parameters 33%
• Rate-determining Step 33%
• Experimental Kinetics 33%
• Experimental Temperature 33%
• Five-membered 33%
• Thermodynamic Parameters 33%
• Cyclic Transition State 33%
• Non-synchronous 33%
• State Types 33%
• B3LYP/6-31G 33%
• Pyrolysis Kinetics 33%
• Gas-phase Pyrolysis 33%
• Dimethyl 33%
• 2-nitropropane 33%
• Nitrous Acid 33%
• Alkenes 33%

Chemistry

• Thermal Decomposition Kinetics 100%
• Nitroalkane 100%
• Rate-Determining Step 33%
• Transition State 33%
• Pyrolysis 33%
• Møller-Plesset Perturbation Theory 33%
• DFT-B3LYP Calculation 33%
• Alkene 33%
• 2-Nitropropane 33%