Theoretical calculations of the multistep reaction mechanism involved in asparagine pyrolysis supported by degree of rate control and thermodynamic control analyses

Compuestos químicos

• Succinimide 100%
• Asparagine 92%
• Maleimide 90%
• Pyrolysis 54%
• Thermodynamics 48%
• Ring Formation 41%
• Gibbs Free Energy 29%
• Cyclization Reaction 29%
• Polymerization Reaction 23%
• Acid 13%

Ingeniería y ciencia de los materiales

• Pyrolysis 74%
• Cyclization 68%
• Thermodynamics 67%
• Density functional theory 58%
• Gibbs free energy 54%
• Amino acids 46%
• Polymerization 44%
• Polymers 28%
• Temperature 15%

Física y astronomía

• succinimides 99%
• pyrolysis 79%
• thermodynamics 53%
• products 33%
• Gibbs free energy 30%
• amino acids 30%
• polymerization 24%
• density functional theory 20%
• rings 17%
• cycles 17%
• polymers 15%
• temperature 7%